source: Tutorials/SimpleMagnetic/SimpleMagnetic.htm @ 3623

Last change on this file since 3623 was 3623, checked in by vondreele, 3 years ago

revise to match new version of magnetism stuff

  • Property svn:mime-type set to text/html
File size: 209.7 KB
Line 
1<html xmlns:v="urn:schemas-microsoft-com:vml"
2xmlns:o="urn:schemas-microsoft-com:office:office"
3xmlns:w="urn:schemas-microsoft-com:office:word"
4xmlns:m="http://schemas.microsoft.com/office/2004/12/omml"
5xmlns="http://www.w3.org/TR/REC-html40">
6
7<head>
8<meta http-equiv=Content-Type content="text/html; charset=windows-1252">
9<meta name=ProgId content=Word.Document>
10<meta name=Generator content="Microsoft Word 15">
11<meta name=Originator content="Microsoft Word 15">
12<link rel=File-List href="SimpleMagnetic_files/filelist.xml">
13<link rel=Edit-Time-Data href="SimpleMagnetic_files/editdata.mso">
14<!--[if !mso]>
15<style>
16v\:* {behavior:url(#default#VML);}
17o\:* {behavior:url(#default#VML);}
18w\:* {behavior:url(#default#VML);}
19.shape {behavior:url(#default#VML);}
20</style>
21<![endif]--><!--[if gte mso 9]><xml>
22 <o:DocumentProperties>
23  <o:Author>Von Dreele</o:Author>
24  <o:LastAuthor>vondreele</o:LastAuthor>
25  <o:Revision>26</o:Revision>
26  <o:TotalTime>6370</o:TotalTime>
27  <o:Created>2017-08-09T17:16:00Z</o:Created>
28  <o:LastSaved>2018-09-27T14:38:00Z</o:LastSaved>
29  <o:Pages>43</o:Pages>
30  <o:Words>5925</o:Words>
31  <o:Characters>33774</o:Characters>
32  <o:Company>Argonne National Laboratory</o:Company>
33  <o:Lines>281</o:Lines>
34  <o:Paragraphs>79</o:Paragraphs>
35  <o:CharactersWithSpaces>39620</o:CharactersWithSpaces>
36  <o:Version>16.00</o:Version>
37 </o:DocumentProperties>
38 <o:OfficeDocumentSettings>
39  <o:AllowPNG/>
40 </o:OfficeDocumentSettings>
41</xml><![endif]-->
42<link rel=themeData href="SimpleMagnetic_files/themedata.thmx">
43<link rel=colorSchemeMapping href="SimpleMagnetic_files/colorschememapping.xml">
44<!--[if gte mso 9]><xml>
45 <w:WordDocument>
46  <w:View>Print</w:View>
47  <w:Zoom>140</w:Zoom>
48  <w:SpellingState>Clean</w:SpellingState>
49  <w:GrammarState>Clean</w:GrammarState>
50  <w:TrackMoves>false</w:TrackMoves>
51  <w:TrackFormatting/>
52  <w:PunctuationKerning/>
53  <w:ValidateAgainstSchemas/>
54  <w:SaveIfXMLInvalid>false</w:SaveIfXMLInvalid>
55  <w:IgnoreMixedContent>false</w:IgnoreMixedContent>
56  <w:AlwaysShowPlaceholderText>false</w:AlwaysShowPlaceholderText>
57  <w:DoNotPromoteQF/>
58  <w:LidThemeOther>EN-US</w:LidThemeOther>
59  <w:LidThemeAsian>X-NONE</w:LidThemeAsian>
60  <w:LidThemeComplexScript>X-NONE</w:LidThemeComplexScript>
61  <w:Compatibility>
62   <w:BreakWrappedTables/>
63   <w:SnapToGridInCell/>
64   <w:WrapTextWithPunct/>
65   <w:UseAsianBreakRules/>
66   <w:DontGrowAutofit/>
67   <w:SplitPgBreakAndParaMark/>
68   <w:DontVertAlignCellWithSp/>
69   <w:DontBreakConstrainedForcedTables/>
70   <w:DontVertAlignInTxbx/>
71   <w:Word11KerningPairs/>
72   <w:CachedColBalance/>
73   <w:EnableOpenTypeKerning/>
74   <w:DontFlipMirrorIndents/>
75   <w:OverrideTableStyleHps/>
76  </w:Compatibility>
77  <w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel>
78  <m:mathPr>
79   <m:mathFont m:val="Cambria Math"/>
80   <m:brkBin m:val="before"/>
81   <m:brkBinSub m:val="&#45;-"/>
82   <m:smallFrac m:val="off"/>
83   <m:dispDef/>
84   <m:lMargin m:val="0"/>
85   <m:rMargin m:val="0"/>
86   <m:defJc m:val="centerGroup"/>
87   <m:wrapIndent m:val="1440"/>
88   <m:intLim m:val="subSup"/>
89   <m:naryLim m:val="undOvr"/>
90  </m:mathPr></w:WordDocument>
91</xml><![endif]--><!--[if gte mso 9]><xml>
92 <w:LatentStyles DefLockedState="false" DefUnhideWhenUsed="false"
93  DefSemiHidden="false" DefQFormat="false" DefPriority="99"
94  LatentStyleCount="371">
95  <w:LsdException Locked="false" Priority="0" QFormat="true" Name="Normal"/>
96  <w:LsdException Locked="false" Priority="9" QFormat="true" Name="heading 1"/>
97  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
98   UnhideWhenUsed="true" QFormat="true" Name="heading 2"/>
99  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
100   UnhideWhenUsed="true" QFormat="true" Name="heading 3"/>
101  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
102   UnhideWhenUsed="true" QFormat="true" Name="heading 4"/>
103  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
104   UnhideWhenUsed="true" QFormat="true" Name="heading 5"/>
105  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
106   UnhideWhenUsed="true" QFormat="true" Name="heading 6"/>
107  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
108   UnhideWhenUsed="true" QFormat="true" Name="heading 7"/>
109  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
110   UnhideWhenUsed="true" QFormat="true" Name="heading 8"/>
111  <w:LsdException Locked="false" Priority="9" SemiHidden="true"
112   UnhideWhenUsed="true" QFormat="true" Name="heading 9"/>
113  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
114   Name="index 1"/>
115  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
116   Name="index 2"/>
117  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
118   Name="index 3"/>
119  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
120   Name="index 4"/>
121  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
122   Name="index 5"/>
123  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
124   Name="index 6"/>
125  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
126   Name="index 7"/>
127  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
128   Name="index 8"/>
129  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
130   Name="index 9"/>
131  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
132   UnhideWhenUsed="true" Name="toc 1"/>
133  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
134   UnhideWhenUsed="true" Name="toc 2"/>
135  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
136   UnhideWhenUsed="true" Name="toc 3"/>
137  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
138   UnhideWhenUsed="true" Name="toc 4"/>
139  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
140   UnhideWhenUsed="true" Name="toc 5"/>
141  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
142   UnhideWhenUsed="true" Name="toc 6"/>
143  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
144   UnhideWhenUsed="true" Name="toc 7"/>
145  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
146   UnhideWhenUsed="true" Name="toc 8"/>
147  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
148   UnhideWhenUsed="true" Name="toc 9"/>
149  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
150   Name="Normal Indent"/>
151  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
152   Name="footnote text"/>
153  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
154   Name="annotation text"/>
155  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
156   Name="header"/>
157  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
158   Name="footer"/>
159  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
160   Name="index heading"/>
161  <w:LsdException Locked="false" Priority="35" SemiHidden="true"
162   UnhideWhenUsed="true" QFormat="true" Name="caption"/>
163  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
164   Name="table of figures"/>
165  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
166   Name="envelope address"/>
167  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
168   Name="envelope return"/>
169  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
170   Name="footnote reference"/>
171  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
172   Name="annotation reference"/>
173  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
174   Name="line number"/>
175  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
176   Name="page number"/>
177  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
178   Name="endnote reference"/>
179  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
180   Name="endnote text"/>
181  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
182   Name="table of authorities"/>
183  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
184   Name="macro"/>
185  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
186   Name="toa heading"/>
187  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
188   Name="List"/>
189  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
190   Name="List Bullet"/>
191  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
192   Name="List Number"/>
193  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
194   Name="List 2"/>
195  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
196   Name="List 3"/>
197  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
198   Name="List 4"/>
199  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
200   Name="List 5"/>
201  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
202   Name="List Bullet 2"/>
203  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
204   Name="List Bullet 3"/>
205  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
206   Name="List Bullet 4"/>
207  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
208   Name="List Bullet 5"/>
209  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
210   Name="List Number 2"/>
211  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
212   Name="List Number 3"/>
213  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
214   Name="List Number 4"/>
215  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
216   Name="List Number 5"/>
217  <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/>
218  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
219   Name="Closing"/>
220  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
221   Name="Signature"/>
222  <w:LsdException Locked="false" Priority="1" SemiHidden="true"
223   UnhideWhenUsed="true" Name="Default Paragraph Font"/>
224  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
225   Name="Body Text"/>
226  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
227   Name="Body Text Indent"/>
228  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
229   Name="List Continue"/>
230  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
231   Name="List Continue 2"/>
232  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
233   Name="List Continue 3"/>
234  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
235   Name="List Continue 4"/>
236  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
237   Name="List Continue 5"/>
238  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
239   Name="Message Header"/>
240  <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
241  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
242   Name="Salutation"/>
243  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
244   Name="Date"/>
245  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
246   Name="Body Text First Indent"/>
247  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
248   Name="Body Text First Indent 2"/>
249  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
250   Name="Note Heading"/>
251  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
252   Name="Body Text 2"/>
253  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
254   Name="Body Text 3"/>
255  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
256   Name="Body Text Indent 2"/>
257  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
258   Name="Body Text Indent 3"/>
259  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
260   Name="Block Text"/>
261  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
262   Name="Hyperlink"/>
263  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
264   Name="FollowedHyperlink"/>
265  <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
266  <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
267  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
268   Name="Document Map"/>
269  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
270   Name="Plain Text"/>
271  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
272   Name="E-mail Signature"/>
273  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
274   Name="HTML Top of Form"/>
275  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
276   Name="HTML Bottom of Form"/>
277  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
278   Name="Normal (Web)"/>
279  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
280   Name="HTML Acronym"/>
281  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
282   Name="HTML Address"/>
283  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
284   Name="HTML Cite"/>
285  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
286   Name="HTML Code"/>
287  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
288   Name="HTML Definition"/>
289  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
290   Name="HTML Keyboard"/>
291  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
292   Name="HTML Preformatted"/>
293  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
294   Name="HTML Sample"/>
295  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
296   Name="HTML Typewriter"/>
297  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
298   Name="HTML Variable"/>
299  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
300   Name="Normal Table"/>
301  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
302   Name="annotation subject"/>
303  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
304   Name="No List"/>
305  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
306   Name="Outline List 1"/>
307  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
308   Name="Outline List 2"/>
309  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
310   Name="Outline List 3"/>
311  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
312   Name="Table Simple 1"/>
313  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
314   Name="Table Simple 2"/>
315  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
316   Name="Table Simple 3"/>
317  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
318   Name="Table Classic 1"/>
319  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
320   Name="Table Classic 2"/>
321  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
322   Name="Table Classic 3"/>
323  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
324   Name="Table Classic 4"/>
325  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
326   Name="Table Colorful 1"/>
327  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
328   Name="Table Colorful 2"/>
329  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
330   Name="Table Colorful 3"/>
331  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
332   Name="Table Columns 1"/>
333  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
334   Name="Table Columns 2"/>
335  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
336   Name="Table Columns 3"/>
337  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
338   Name="Table Columns 4"/>
339  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
340   Name="Table Columns 5"/>
341  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
342   Name="Table Grid 1"/>
343  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
344   Name="Table Grid 2"/>
345  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
346   Name="Table Grid 3"/>
347  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
348   Name="Table Grid 4"/>
349  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
350   Name="Table Grid 5"/>
351  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
352   Name="Table Grid 6"/>
353  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
354   Name="Table Grid 7"/>
355  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
356   Name="Table Grid 8"/>
357  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
358   Name="Table List 1"/>
359  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
360   Name="Table List 2"/>
361  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
362   Name="Table List 3"/>
363  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
364   Name="Table List 4"/>
365  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
366   Name="Table List 5"/>
367  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
368   Name="Table List 6"/>
369  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
370   Name="Table List 7"/>
371  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
372   Name="Table List 8"/>
373  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
374   Name="Table 3D effects 1"/>
375  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
376   Name="Table 3D effects 2"/>
377  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
378   Name="Table 3D effects 3"/>
379  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
380   Name="Table Contemporary"/>
381  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
382   Name="Table Elegant"/>
383  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
384   Name="Table Professional"/>
385  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
386   Name="Table Subtle 1"/>
387  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
388   Name="Table Subtle 2"/>
389  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
390   Name="Table Web 1"/>
391  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
392   Name="Table Web 2"/>
393  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
394   Name="Table Web 3"/>
395  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
396   Name="Balloon Text"/>
397  <w:LsdException Locked="false" Priority="59" Name="Table Grid"/>
398  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
399   Name="Table Theme"/>
400  <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
401  <w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/>
402  <w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
403  <w:LsdException Locked="false" Priority="61" Name="Light List"/>
404  <w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
405  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
406  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
407  <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
408  <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
409  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
410  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
411  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
412  <w:LsdException Locked="false" Priority="70" Name="Dark List"/>
413  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
414  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
415  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
416  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
417  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
418  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
419  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
420  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
421  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
422  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
423  <w:LsdException Locked="false" Priority="34" QFormat="true"
424   Name="List Paragraph"/>
425  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
426  <w:LsdException Locked="false" Priority="30" QFormat="true"
427   Name="Intense Quote"/>
428  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
429  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
430  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
431  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
432  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
433  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
434  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
435  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
436  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
437  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
438  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
439  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
440  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
441  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
442  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
443  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
444  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
445  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
446  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
447  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
448  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
449  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
450  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
451  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
452  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
453  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
454  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
455  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
456  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
457  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
458  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
459  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
460  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
461  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
462  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
463  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
464  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
465  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
466  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
467  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
468  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
469  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
470  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
471  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
472  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
473  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
474  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
475  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
476  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
477  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
478  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
479  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
480  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
481  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
482  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
483  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
484  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
485  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
486  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
487  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
488  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
489  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
490  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
491  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
492  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
493  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
494  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
495  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
496  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
497  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
498  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
499  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
500  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
501  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
502  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
503  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
504  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
505  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
506  <w:LsdException Locked="false" Priority="19" QFormat="true"
507   Name="Subtle Emphasis"/>
508  <w:LsdException Locked="false" Priority="21" QFormat="true"
509   Name="Intense Emphasis"/>
510  <w:LsdException Locked="false" Priority="31" QFormat="true"
511   Name="Subtle Reference"/>
512  <w:LsdException Locked="false" Priority="32" QFormat="true"
513   Name="Intense Reference"/>
514  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
515  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
516   UnhideWhenUsed="true" Name="Bibliography"/>
517  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
518   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
519  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
520  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
521  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
522  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
523  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
524  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
525  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
526  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
527  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
528  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
529  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
530  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
531  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
532  <w:LsdException Locked="false" Priority="46"
533   Name="Grid Table 1 Light Accent 1"/>
534  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
535  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
536  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
537  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
538  <w:LsdException Locked="false" Priority="51"
539   Name="Grid Table 6 Colorful Accent 1"/>
540  <w:LsdException Locked="false" Priority="52"
541   Name="Grid Table 7 Colorful Accent 1"/>
542  <w:LsdException Locked="false" Priority="46"
543   Name="Grid Table 1 Light Accent 2"/>
544  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
545  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
546  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
547  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
548  <w:LsdException Locked="false" Priority="51"
549   Name="Grid Table 6 Colorful Accent 2"/>
550  <w:LsdException Locked="false" Priority="52"
551   Name="Grid Table 7 Colorful Accent 2"/>
552  <w:LsdException Locked="false" Priority="46"
553   Name="Grid Table 1 Light Accent 3"/>
554  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
555  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
556  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
557  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
558  <w:LsdException Locked="false" Priority="51"
559   Name="Grid Table 6 Colorful Accent 3"/>
560  <w:LsdException Locked="false" Priority="52"
561   Name="Grid Table 7 Colorful Accent 3"/>
562  <w:LsdException Locked="false" Priority="46"
563   Name="Grid Table 1 Light Accent 4"/>
564  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
565  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
566  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
567  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
568  <w:LsdException Locked="false" Priority="51"
569   Name="Grid Table 6 Colorful Accent 4"/>
570  <w:LsdException Locked="false" Priority="52"
571   Name="Grid Table 7 Colorful Accent 4"/>
572  <w:LsdException Locked="false" Priority="46"
573   Name="Grid Table 1 Light Accent 5"/>
574  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
575  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
576  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
577  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
578  <w:LsdException Locked="false" Priority="51"
579   Name="Grid Table 6 Colorful Accent 5"/>
580  <w:LsdException Locked="false" Priority="52"
581   Name="Grid Table 7 Colorful Accent 5"/>
582  <w:LsdException Locked="false" Priority="46"
583   Name="Grid Table 1 Light Accent 6"/>
584  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
585  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
586  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
587  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
588  <w:LsdException Locked="false" Priority="51"
589   Name="Grid Table 6 Colorful Accent 6"/>
590  <w:LsdException Locked="false" Priority="52"
591   Name="Grid Table 7 Colorful Accent 6"/>
592  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
593  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
594  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
595  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
596  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
597  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
598  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
599  <w:LsdException Locked="false" Priority="46"
600   Name="List Table 1 Light Accent 1"/>
601  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
602  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
603  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
604  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
605  <w:LsdException Locked="false" Priority="51"
606   Name="List Table 6 Colorful Accent 1"/>
607  <w:LsdException Locked="false" Priority="52"
608   Name="List Table 7 Colorful Accent 1"/>
609  <w:LsdException Locked="false" Priority="46"
610   Name="List Table 1 Light Accent 2"/>
611  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
612  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
613  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
614  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
615  <w:LsdException Locked="false" Priority="51"
616   Name="List Table 6 Colorful Accent 2"/>
617  <w:LsdException Locked="false" Priority="52"
618   Name="List Table 7 Colorful Accent 2"/>
619  <w:LsdException Locked="false" Priority="46"
620   Name="List Table 1 Light Accent 3"/>
621  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
622  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
623  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
624  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
625  <w:LsdException Locked="false" Priority="51"
626   Name="List Table 6 Colorful Accent 3"/>
627  <w:LsdException Locked="false" Priority="52"
628   Name="List Table 7 Colorful Accent 3"/>
629  <w:LsdException Locked="false" Priority="46"
630   Name="List Table 1 Light Accent 4"/>
631  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
632  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
633  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
634  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
635  <w:LsdException Locked="false" Priority="51"
636   Name="List Table 6 Colorful Accent 4"/>
637  <w:LsdException Locked="false" Priority="52"
638   Name="List Table 7 Colorful Accent 4"/>
639  <w:LsdException Locked="false" Priority="46"
640   Name="List Table 1 Light Accent 5"/>
641  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
642  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
643  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
644  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
645  <w:LsdException Locked="false" Priority="51"
646   Name="List Table 6 Colorful Accent 5"/>
647  <w:LsdException Locked="false" Priority="52"
648   Name="List Table 7 Colorful Accent 5"/>
649  <w:LsdException Locked="false" Priority="46"
650   Name="List Table 1 Light Accent 6"/>
651  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
652  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
653  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
654  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
655  <w:LsdException Locked="false" Priority="51"
656   Name="List Table 6 Colorful Accent 6"/>
657  <w:LsdException Locked="false" Priority="52"
658   Name="List Table 7 Colorful Accent 6"/>
659 </w:LatentStyles>
660</xml><![endif]-->
661<style>
662<!--
663 /* Font Definitions */
664 @font-face
665        {font-family:"Cambria Math";
666        panose-1:2 4 5 3 5 4 6 3 2 4;
667        mso-font-charset:0;
668        mso-generic-font-family:roman;
669        mso-font-pitch:variable;
670        mso-font-signature:-536869121 1107305727 33554432 0 415 0;}
671@font-face
672        {font-family:"Calibri Light";
673        panose-1:2 15 3 2 2 2 4 3 2 4;
674        mso-font-charset:0;
675        mso-generic-font-family:swiss;
676        mso-font-pitch:variable;
677        mso-font-signature:-536859905 -1073732485 9 0 511 0;}
678@font-face
679        {font-family:Calibri;
680        panose-1:2 15 5 2 2 2 4 3 2 4;
681        mso-font-charset:0;
682        mso-generic-font-family:swiss;
683        mso-font-pitch:variable;
684        mso-font-signature:-536859905 -1073732485 9 0 511 0;}
685@font-face
686        {font-family:Tahoma;
687        panose-1:2 11 6 4 3 5 4 4 2 4;
688        mso-font-charset:0;
689        mso-generic-font-family:swiss;
690        mso-font-pitch:variable;
691        mso-font-signature:-520081665 -1073717157 41 0 66047 0;}
692 /* Style Definitions */
693 p.MsoNormal, li.MsoNormal, div.MsoNormal
694        {mso-style-unhide:no;
695        mso-style-qformat:yes;
696        mso-style-parent:"";
697        margin:0in;
698        margin-bottom:.0001pt;
699        mso-pagination:widow-orphan;
700        font-size:12.0pt;
701        font-family:"Times New Roman",serif;
702        mso-fareast-font-family:"Times New Roman";
703        mso-fareast-theme-font:minor-fareast;}
704h1
705        {mso-style-priority:9;
706        mso-style-unhide:no;
707        mso-style-qformat:yes;
708        mso-style-link:"Heading 1 Char";
709        mso-margin-top-alt:auto;
710        margin-right:0in;
711        mso-margin-bottom-alt:auto;
712        margin-left:0in;
713        mso-pagination:widow-orphan;
714        mso-outline-level:1;
715        font-size:24.0pt;
716        font-family:"Times New Roman",serif;
717        mso-fareast-font-family:"Times New Roman";
718        mso-fareast-theme-font:minor-fareast;
719        font-weight:bold;}
720h2
721        {mso-style-noshow:yes;
722        mso-style-priority:9;
723        mso-style-qformat:yes;
724        mso-style-link:"Heading 2 Char";
725        mso-margin-top-alt:auto;
726        margin-right:0in;
727        mso-margin-bottom-alt:auto;
728        margin-left:0in;
729        mso-pagination:widow-orphan;
730        mso-outline-level:2;
731        font-size:18.0pt;
732        font-family:"Times New Roman",serif;
733        mso-fareast-font-family:"Times New Roman";
734        mso-fareast-theme-font:minor-fareast;
735        font-weight:bold;}
736h3
737        {mso-style-noshow:yes;
738        mso-style-priority:9;
739        mso-style-qformat:yes;
740        mso-style-link:"Heading 3 Char";
741        mso-margin-top-alt:auto;
742        margin-right:0in;
743        mso-margin-bottom-alt:auto;
744        margin-left:0in;
745        mso-pagination:widow-orphan;
746        mso-outline-level:3;
747        font-size:13.5pt;
748        font-family:"Times New Roman",serif;
749        mso-fareast-font-family:"Times New Roman";
750        mso-fareast-theme-font:minor-fareast;
751        font-weight:bold;}
752h4
753        {mso-style-noshow:yes;
754        mso-style-priority:9;
755        mso-style-qformat:yes;
756        mso-style-link:"Heading 4 Char";
757        mso-style-next:Normal;
758        margin-top:10.0pt;
759        margin-right:0in;
760        margin-bottom:0in;
761        margin-left:0in;
762        margin-bottom:.0001pt;
763        mso-pagination:widow-orphan lines-together;
764        page-break-after:avoid;
765        mso-outline-level:4;
766        font-size:13.0pt;
767        font-family:"Calibri Light",sans-serif;
768        mso-ascii-font-family:"Calibri Light";
769        mso-ascii-theme-font:major-latin;
770        mso-fareast-font-family:"Times New Roman";
771        mso-fareast-theme-font:major-fareast;
772        mso-hansi-font-family:"Calibri Light";
773        mso-hansi-theme-font:major-latin;
774        mso-bidi-font-family:"Times New Roman";
775        mso-bidi-theme-font:major-bidi;
776        color:#5B9BD5;
777        mso-themecolor:accent1;
778        font-weight:bold;
779        font-style:italic;}
780h5
781        {mso-style-noshow:yes;
782        mso-style-priority:9;
783        mso-style-qformat:yes;
784        mso-style-link:"Heading 5 Char";
785        mso-margin-top-alt:auto;
786        margin-right:0in;
787        mso-margin-bottom-alt:auto;
788        margin-left:0in;
789        mso-pagination:widow-orphan;
790        mso-outline-level:5;
791        font-size:12.0pt;
792        font-family:"Times New Roman",serif;
793        mso-fareast-font-family:"Times New Roman";
794        mso-fareast-theme-font:minor-fareast;
795        color:#4F4FFF;
796        font-weight:bold;}
797p.MsoTitle, li.MsoTitle, div.MsoTitle
798        {mso-style-noshow:yes;
799        mso-style-priority:10;
800        mso-style-unhide:no;
801        mso-style-qformat:yes;
802        mso-style-link:"Title Char";
803        mso-style-next:Normal;
804        margin-top:0in;
805        margin-right:0in;
806        margin-bottom:15.0pt;
807        margin-left:0in;
808        mso-add-space:auto;
809        mso-pagination:widow-orphan;
810        border:none;
811        mso-border-bottom-alt:solid #5B9BD5 1.0pt;
812        mso-border-bottom-themecolor:accent1;
813        padding:0in;
814        mso-padding-alt:0in 0in 4.0pt 0in;
815        font-size:26.0pt;
816        font-family:"Calibri Light",sans-serif;
817        mso-ascii-font-family:"Calibri Light";
818        mso-ascii-theme-font:major-latin;
819        mso-fareast-font-family:"Times New Roman";
820        mso-fareast-theme-font:major-fareast;
821        mso-hansi-font-family:"Calibri Light";
822        mso-hansi-theme-font:major-latin;
823        mso-bidi-font-family:"Times New Roman";
824        mso-bidi-theme-font:major-bidi;
825        color:#323E4F;
826        mso-themecolor:text2;
827        mso-themeshade:191;
828        letter-spacing:.25pt;
829        mso-font-kerning:14.0pt;}
830p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst
831        {mso-style-noshow:yes;
832        mso-style-priority:10;
833        mso-style-unhide:no;
834        mso-style-qformat:yes;
835        mso-style-link:"Title Char";
836        mso-style-next:Normal;
837        mso-style-type:export-only;
838        margin:0in;
839        margin-bottom:.0001pt;
840        mso-add-space:auto;
841        mso-pagination:widow-orphan;
842        border:none;
843        mso-border-bottom-alt:solid #5B9BD5 1.0pt;
844        mso-border-bottom-themecolor:accent1;
845        padding:0in;
846        mso-padding-alt:0in 0in 4.0pt 0in;
847        font-size:26.0pt;
848        font-family:"Calibri Light",sans-serif;
849        mso-ascii-font-family:"Calibri Light";
850        mso-ascii-theme-font:major-latin;
851        mso-fareast-font-family:"Times New Roman";
852        mso-fareast-theme-font:major-fareast;
853        mso-hansi-font-family:"Calibri Light";
854        mso-hansi-theme-font:major-latin;
855        mso-bidi-font-family:"Times New Roman";
856        mso-bidi-theme-font:major-bidi;
857        color:#323E4F;
858        mso-themecolor:text2;
859        mso-themeshade:191;
860        letter-spacing:.25pt;
861        mso-font-kerning:14.0pt;}
862p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
863        {mso-style-noshow:yes;
864        mso-style-priority:10;
865        mso-style-unhide:no;
866        mso-style-qformat:yes;
867        mso-style-link:"Title Char";
868        mso-style-next:Normal;
869        mso-style-type:export-only;
870        margin:0in;
871        margin-bottom:.0001pt;
872        mso-add-space:auto;
873        mso-pagination:widow-orphan;
874        border:none;
875        mso-border-bottom-alt:solid #5B9BD5 1.0pt;
876        mso-border-bottom-themecolor:accent1;
877        padding:0in;
878        mso-padding-alt:0in 0in 4.0pt 0in;
879        font-size:26.0pt;
880        font-family:"Calibri Light",sans-serif;
881        mso-ascii-font-family:"Calibri Light";
882        mso-ascii-theme-font:major-latin;
883        mso-fareast-font-family:"Times New Roman";
884        mso-fareast-theme-font:major-fareast;
885        mso-hansi-font-family:"Calibri Light";
886        mso-hansi-theme-font:major-latin;
887        mso-bidi-font-family:"Times New Roman";
888        mso-bidi-theme-font:major-bidi;
889        color:#323E4F;
890        mso-themecolor:text2;
891        mso-themeshade:191;
892        letter-spacing:.25pt;
893        mso-font-kerning:14.0pt;}
894p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
895        {mso-style-noshow:yes;
896        mso-style-priority:10;
897        mso-style-unhide:no;
898        mso-style-qformat:yes;
899        mso-style-link:"Title Char";
900        mso-style-next:Normal;
901        mso-style-type:export-only;
902        margin-top:0in;
903        margin-right:0in;
904        margin-bottom:15.0pt;
905        margin-left:0in;
906        mso-add-space:auto;
907        mso-pagination:widow-orphan;
908        border:none;
909        mso-border-bottom-alt:solid #5B9BD5 1.0pt;
910        mso-border-bottom-themecolor:accent1;
911        padding:0in;
912        mso-padding-alt:0in 0in 4.0pt 0in;
913        font-size:26.0pt;
914        font-family:"Calibri Light",sans-serif;
915        mso-ascii-font-family:"Calibri Light";
916        mso-ascii-theme-font:major-latin;
917        mso-fareast-font-family:"Times New Roman";
918        mso-fareast-theme-font:major-fareast;
919        mso-hansi-font-family:"Calibri Light";
920        mso-hansi-theme-font:major-latin;
921        mso-bidi-font-family:"Times New Roman";
922        mso-bidi-theme-font:major-bidi;
923        color:#323E4F;
924        mso-themecolor:text2;
925        mso-themeshade:191;
926        letter-spacing:.25pt;
927        mso-font-kerning:14.0pt;}
928a:link, span.MsoHyperlink
929        {mso-style-noshow:yes;
930        mso-style-priority:99;
931        color:blue;
932        text-decoration:underline;
933        text-underline:single;}
934a:visited, span.MsoHyperlinkFollowed
935        {mso-style-noshow:yes;
936        mso-style-priority:99;
937        color:purple;
938        text-decoration:underline;
939        text-underline:single;}
940p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
941        {mso-style-noshow:yes;
942        mso-style-priority:99;
943        mso-style-link:"Document Map Char";
944        margin:0in;
945        margin-bottom:.0001pt;
946        mso-pagination:widow-orphan;
947        font-size:8.0pt;
948        font-family:"Tahoma",sans-serif;
949        mso-fareast-font-family:"Times New Roman";
950        mso-fareast-theme-font:minor-fareast;}
951p
952        {mso-style-noshow:yes;
953        mso-style-priority:99;
954        mso-margin-top-alt:auto;
955        margin-right:0in;
956        mso-margin-bottom-alt:auto;
957        margin-left:0in;
958        mso-pagination:widow-orphan;
959        font-size:12.0pt;
960        font-family:"Times New Roman",serif;
961        mso-fareast-font-family:"Times New Roman";
962        mso-fareast-theme-font:minor-fareast;}
963pre
964        {mso-style-noshow:yes;
965        mso-style-priority:99;
966        mso-style-link:"HTML Preformatted Char";
967        margin:0in;
968        margin-bottom:.0001pt;
969        mso-pagination:widow-orphan;
970        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
971        font-size:10.0pt;
972        font-family:"Courier New";
973        mso-fareast-font-family:"Times New Roman";}
974p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
975        {mso-style-noshow:yes;
976        mso-style-priority:99;
977        mso-style-link:"Balloon Text Char";
978        margin:0in;
979        margin-bottom:.0001pt;
980        mso-pagination:widow-orphan;
981        font-size:8.0pt;
982        font-family:"Tahoma",sans-serif;
983        mso-fareast-font-family:"Times New Roman";
984        mso-fareast-theme-font:minor-fareast;}
985span.MsoPlaceholderText
986        {mso-style-noshow:yes;
987        mso-style-priority:99;
988        mso-style-unhide:no;
989        color:gray;}
990p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
991        {mso-style-noshow:yes;
992        mso-style-priority:1;
993        mso-style-unhide:no;
994        mso-style-qformat:yes;
995        mso-style-parent:"";
996        margin:0in;
997        margin-bottom:.0001pt;
998        mso-pagination:widow-orphan;
999        font-size:12.0pt;
1000        font-family:"Times New Roman",serif;
1001        mso-fareast-font-family:"Times New Roman";
1002        mso-fareast-theme-font:minor-fareast;}
1003p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
1004        {mso-style-noshow:yes;
1005        mso-style-priority:34;
1006        mso-style-unhide:no;
1007        mso-style-qformat:yes;
1008        margin-top:0in;
1009        margin-right:0in;
1010        margin-bottom:0in;
1011        margin-left:.5in;
1012        margin-bottom:.0001pt;
1013        mso-add-space:auto;
1014        mso-pagination:widow-orphan;
1015        font-size:12.0pt;
1016        font-family:"Times New Roman",serif;
1017        mso-fareast-font-family:"Times New Roman";
1018        mso-fareast-theme-font:minor-fareast;}
1019p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
1020        {mso-style-noshow:yes;
1021        mso-style-priority:34;
1022        mso-style-unhide:no;
1023        mso-style-qformat:yes;
1024        mso-style-type:export-only;
1025        margin-top:0in;
1026        margin-right:0in;
1027        margin-bottom:0in;
1028        margin-left:.5in;
1029        margin-bottom:.0001pt;
1030        mso-add-space:auto;
1031        mso-pagination:widow-orphan;
1032        font-size:12.0pt;
1033        font-family:"Times New Roman",serif;
1034        mso-fareast-font-family:"Times New Roman";
1035        mso-fareast-theme-font:minor-fareast;}
1036p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
1037        {mso-style-noshow:yes;
1038        mso-style-priority:34;
1039        mso-style-unhide:no;
1040        mso-style-qformat:yes;
1041        mso-style-type:export-only;
1042        margin-top:0in;
1043        margin-right:0in;
1044        margin-bottom:0in;
1045        margin-left:.5in;
1046        margin-bottom:.0001pt;
1047        mso-add-space:auto;
1048        mso-pagination:widow-orphan;
1049        font-size:12.0pt;
1050        font-family:"Times New Roman",serif;
1051        mso-fareast-font-family:"Times New Roman";
1052        mso-fareast-theme-font:minor-fareast;}
1053p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
1054        {mso-style-noshow:yes;
1055        mso-style-priority:34;
1056        mso-style-unhide:no;
1057        mso-style-qformat:yes;
1058        mso-style-type:export-only;
1059        margin-top:0in;
1060        margin-right:0in;
1061        margin-bottom:0in;
1062        margin-left:.5in;
1063        margin-bottom:.0001pt;
1064        mso-add-space:auto;
1065        mso-pagination:widow-orphan;
1066        font-size:12.0pt;
1067        font-family:"Times New Roman",serif;
1068        mso-fareast-font-family:"Times New Roman";
1069        mso-fareast-theme-font:minor-fareast;}
1070span.MsoIntenseReference
1071        {mso-style-priority:32;
1072        mso-style-unhide:no;
1073        mso-style-qformat:yes;
1074        font-variant:small-caps;
1075        color:#ED7D31;
1076        mso-themecolor:accent2;
1077        letter-spacing:.25pt;
1078        font-weight:bold;
1079        text-decoration:underline;
1080        text-underline:single;}
1081span.Heading1Char
1082        {mso-style-name:"Heading 1 Char";
1083        mso-style-priority:9;
1084        mso-style-unhide:no;
1085        mso-style-locked:yes;
1086        mso-style-link:"Heading 1";
1087        mso-ansi-font-size:24.0pt;
1088        mso-bidi-font-size:24.0pt;
1089        font-family:"Times New Roman",serif;
1090        mso-ascii-font-family:"Times New Roman";
1091        mso-fareast-font-family:"Times New Roman";
1092        mso-fareast-theme-font:minor-fareast;
1093        mso-hansi-font-family:"Times New Roman";
1094        mso-bidi-font-family:"Times New Roman";
1095        mso-font-kerning:18.0pt;
1096        font-weight:bold;}
1097span.Heading2Char
1098        {mso-style-name:"Heading 2 Char";
1099        mso-style-noshow:yes;
1100        mso-style-priority:9;
1101        mso-style-unhide:no;
1102        mso-style-locked:yes;
1103        mso-style-link:"Heading 2";
1104        mso-ansi-font-size:18.0pt;
1105        mso-bidi-font-size:18.0pt;
1106        font-family:"Times New Roman",serif;
1107        mso-ascii-font-family:"Times New Roman";
1108        mso-fareast-font-family:"Times New Roman";
1109        mso-fareast-theme-font:minor-fareast;
1110        mso-hansi-font-family:"Times New Roman";
1111        mso-bidi-font-family:"Times New Roman";
1112        font-weight:bold;}
1113span.Heading3Char
1114        {mso-style-name:"Heading 3 Char";
1115        mso-style-noshow:yes;
1116        mso-style-priority:9;
1117        mso-style-unhide:no;
1118        mso-style-locked:yes;
1119        mso-style-link:"Heading 3";
1120        mso-ansi-font-size:13.5pt;
1121        mso-bidi-font-size:13.5pt;
1122        font-family:"Times New Roman",serif;
1123        mso-ascii-font-family:"Times New Roman";
1124        mso-fareast-font-family:"Times New Roman";
1125        mso-fareast-theme-font:minor-fareast;
1126        mso-hansi-font-family:"Times New Roman";
1127        mso-bidi-font-family:"Times New Roman";
1128        font-weight:bold;}
1129span.Heading4Char
1130        {mso-style-name:"Heading 4 Char";
1131        mso-style-noshow:yes;
1132        mso-style-priority:9;
1133        mso-style-unhide:no;
1134        mso-style-locked:yes;
1135        mso-style-link:"Heading 4";
1136        mso-ansi-font-size:13.0pt;
1137        mso-bidi-font-size:13.0pt;
1138        font-family:"Calibri Light",sans-serif;
1139        mso-ascii-font-family:"Calibri Light";
1140        mso-ascii-theme-font:major-latin;
1141        mso-fareast-font-family:"Times New Roman";
1142        mso-fareast-theme-font:major-fareast;
1143        mso-hansi-font-family:"Calibri Light";
1144        mso-hansi-theme-font:major-latin;
1145        mso-bidi-font-family:"Times New Roman";
1146        mso-bidi-theme-font:major-bidi;
1147        color:#5B9BD5;
1148        mso-themecolor:accent1;
1149        font-weight:bold;
1150        font-style:italic;}
1151span.Heading5Char
1152        {mso-style-name:"Heading 5 Char";
1153        mso-style-noshow:yes;
1154        mso-style-priority:9;
1155        mso-style-unhide:no;
1156        mso-style-locked:yes;
1157        mso-style-link:"Heading 5";
1158        mso-ansi-font-size:12.0pt;
1159        mso-bidi-font-size:12.0pt;
1160        font-family:"Times New Roman",serif;
1161        mso-ascii-font-family:"Times New Roman";
1162        mso-fareast-font-family:"Times New Roman";
1163        mso-fareast-theme-font:minor-fareast;
1164        mso-hansi-font-family:"Times New Roman";
1165        mso-bidi-font-family:"Times New Roman";
1166        color:#4F4FFF;
1167        font-weight:bold;}
1168span.HTMLPreformattedChar
1169        {mso-style-name:"HTML Preformatted Char";
1170        mso-style-noshow:yes;
1171        mso-style-priority:99;
1172        mso-style-unhide:no;
1173        mso-style-locked:yes;
1174        mso-style-link:"HTML Preformatted";
1175        font-family:"Courier New";
1176        mso-ascii-font-family:"Courier New";
1177        mso-fareast-font-family:"Times New Roman";
1178        mso-hansi-font-family:"Courier New";
1179        mso-bidi-font-family:"Courier New";}
1180p.msonormal0, li.msonormal0, div.msonormal0
1181        {mso-style-name:msonormal;
1182        mso-style-noshow:yes;
1183        mso-style-priority:99;
1184        mso-style-unhide:no;
1185        mso-margin-top-alt:auto;
1186        margin-right:0in;
1187        mso-margin-bottom-alt:auto;
1188        margin-left:0in;
1189        mso-pagination:widow-orphan;
1190        font-size:12.0pt;
1191        font-family:"Times New Roman",serif;
1192        mso-fareast-font-family:"Times New Roman";
1193        mso-fareast-theme-font:minor-fareast;}
1194span.TitleChar
1195        {mso-style-name:"Title Char";
1196        mso-style-priority:10;
1197        mso-style-unhide:no;
1198        mso-style-locked:yes;
1199        mso-style-link:Title;
1200        mso-ansi-font-size:26.0pt;
1201        mso-bidi-font-size:26.0pt;
1202        font-family:"Calibri Light",sans-serif;
1203        mso-ascii-font-family:"Calibri Light";
1204        mso-ascii-theme-font:major-latin;
1205        mso-fareast-font-family:"Times New Roman";
1206        mso-fareast-theme-font:major-fareast;
1207        mso-hansi-font-family:"Calibri Light";
1208        mso-hansi-theme-font:major-latin;
1209        mso-bidi-font-family:"Times New Roman";
1210        mso-bidi-theme-font:major-bidi;
1211        color:#323E4F;
1212        mso-themecolor:text2;
1213        mso-themeshade:191;
1214        letter-spacing:.25pt;
1215        mso-font-kerning:14.0pt;}
1216span.DocumentMapChar
1217        {mso-style-name:"Document Map Char";
1218        mso-style-noshow:yes;
1219        mso-style-priority:99;
1220        mso-style-unhide:no;
1221        mso-style-locked:yes;
1222        mso-style-link:"Document Map";
1223        mso-ansi-font-size:8.0pt;
1224        mso-bidi-font-size:8.0pt;
1225        font-family:"Tahoma",sans-serif;
1226        mso-ascii-font-family:Tahoma;
1227        mso-fareast-font-family:"Times New Roman";
1228        mso-fareast-theme-font:minor-fareast;
1229        mso-hansi-font-family:Tahoma;
1230        mso-bidi-font-family:Tahoma;}
1231span.BalloonTextChar
1232        {mso-style-name:"Balloon Text Char";
1233        mso-style-noshow:yes;
1234        mso-style-priority:99;
1235        mso-style-unhide:no;
1236        mso-style-locked:yes;
1237        mso-style-link:"Balloon Text";
1238        mso-ansi-font-size:8.0pt;
1239        mso-bidi-font-size:8.0pt;
1240        font-family:"Tahoma",sans-serif;
1241        mso-ascii-font-family:Tahoma;
1242        mso-fareast-font-family:"Times New Roman";
1243        mso-fareast-theme-font:minor-fareast;
1244        mso-hansi-font-family:Tahoma;
1245        mso-bidi-font-family:Tahoma;}
1246span.SpellE
1247        {mso-style-name:"";
1248        mso-spl-e:yes;}
1249span.GramE
1250        {mso-style-name:"";
1251        mso-gram-e:yes;}
1252.MsoChpDefault
1253        {mso-style-type:export-only;
1254        mso-default-props:yes;
1255        font-size:10.0pt;
1256        mso-ansi-font-size:10.0pt;
1257        mso-bidi-font-size:10.0pt;
1258        font-family:"Calibri",sans-serif;
1259        mso-ascii-font-family:Calibri;
1260        mso-ascii-theme-font:minor-latin;
1261        mso-fareast-font-family:Calibri;
1262        mso-fareast-theme-font:minor-latin;
1263        mso-hansi-font-family:Calibri;
1264        mso-hansi-theme-font:minor-latin;
1265        mso-bidi-font-family:"Times New Roman";
1266        mso-bidi-theme-font:minor-bidi;}
1267@page WordSection1
1268        {size:8.5in 11.0in;
1269        margin:1.0in 1.0in 1.0in 1.0in;
1270        mso-header-margin:.5in;
1271        mso-footer-margin:.5in;
1272        mso-paper-source:0;}
1273div.WordSection1
1274        {page:WordSection1;}
1275 /* List Definitions */
1276 @list l0
1277        {mso-list-id:15860155;
1278        mso-list-type:hybrid;
1279        mso-list-template-ids:234676978 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1280@list l0:level1
1281        {mso-level-tab-stop:none;
1282        mso-level-number-position:left;
1283        margin-left:.75in;
1284        text-indent:-.25in;}
1285@list l0:level2
1286        {mso-level-number-format:alpha-lower;
1287        mso-level-tab-stop:none;
1288        mso-level-number-position:left;
1289        margin-left:1.25in;
1290        text-indent:-.25in;}
1291@list l0:level3
1292        {mso-level-number-format:roman-lower;
1293        mso-level-tab-stop:none;
1294        mso-level-number-position:right;
1295        margin-left:1.75in;
1296        text-indent:-9.0pt;}
1297@list l0:level4
1298        {mso-level-tab-stop:none;
1299        mso-level-number-position:left;
1300        margin-left:2.25in;
1301        text-indent:-.25in;}
1302@list l0:level5
1303        {mso-level-number-format:alpha-lower;
1304        mso-level-tab-stop:none;
1305        mso-level-number-position:left;
1306        margin-left:2.75in;
1307        text-indent:-.25in;}
1308@list l0:level6
1309        {mso-level-number-format:roman-lower;
1310        mso-level-tab-stop:none;
1311        mso-level-number-position:right;
1312        margin-left:3.25in;
1313        text-indent:-9.0pt;}
1314@list l0:level7
1315        {mso-level-tab-stop:none;
1316        mso-level-number-position:left;
1317        margin-left:3.75in;
1318        text-indent:-.25in;}
1319@list l0:level8
1320        {mso-level-number-format:alpha-lower;
1321        mso-level-tab-stop:none;
1322        mso-level-number-position:left;
1323        margin-left:4.25in;
1324        text-indent:-.25in;}
1325@list l0:level9
1326        {mso-level-number-format:roman-lower;
1327        mso-level-tab-stop:none;
1328        mso-level-number-position:right;
1329        margin-left:4.75in;
1330        text-indent:-9.0pt;}
1331@list l1
1332        {mso-list-id:608973138;
1333        mso-list-type:hybrid;
1334        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1335@list l1:level1
1336        {mso-level-tab-stop:none;
1337        mso-level-number-position:left;
1338        margin-left:.25in;
1339        text-indent:-.25in;}
1340@list l1:level2
1341        {mso-level-number-format:alpha-lower;
1342        mso-level-tab-stop:none;
1343        mso-level-number-position:left;
1344        margin-left:.75in;
1345        text-indent:-.25in;}
1346@list l1:level3
1347        {mso-level-number-format:roman-lower;
1348        mso-level-tab-stop:none;
1349        mso-level-number-position:right;
1350        margin-left:1.25in;
1351        text-indent:-9.0pt;}
1352@list l1:level4
1353        {mso-level-tab-stop:none;
1354        mso-level-number-position:left;
1355        margin-left:1.75in;
1356        text-indent:-.25in;}
1357@list l1:level5
1358        {mso-level-number-format:alpha-lower;
1359        mso-level-tab-stop:none;
1360        mso-level-number-position:left;
1361        margin-left:2.25in;
1362        text-indent:-.25in;}
1363@list l1:level6
1364        {mso-level-number-format:roman-lower;
1365        mso-level-tab-stop:none;
1366        mso-level-number-position:right;
1367        margin-left:2.75in;
1368        text-indent:-9.0pt;}
1369@list l1:level7
1370        {mso-level-tab-stop:none;
1371        mso-level-number-position:left;
1372        margin-left:3.25in;
1373        text-indent:-.25in;}
1374@list l1:level8
1375        {mso-level-number-format:alpha-lower;
1376        mso-level-tab-stop:none;
1377        mso-level-number-position:left;
1378        margin-left:3.75in;
1379        text-indent:-.25in;}
1380@list l1:level9
1381        {mso-level-number-format:roman-lower;
1382        mso-level-tab-stop:none;
1383        mso-level-number-position:right;
1384        margin-left:4.25in;
1385        text-indent:-9.0pt;}
1386@list l2
1387        {mso-list-id:724838487;
1388        mso-list-type:hybrid;
1389        mso-list-template-ids:-1805223932 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1390@list l2:level1
1391        {mso-level-tab-stop:none;
1392        mso-level-number-position:left;
1393        text-indent:-.25in;}
1394@list l2:level2
1395        {mso-level-number-format:alpha-lower;
1396        mso-level-tab-stop:none;
1397        mso-level-number-position:left;
1398        text-indent:-.25in;}
1399@list l2:level3
1400        {mso-level-number-format:roman-lower;
1401        mso-level-tab-stop:none;
1402        mso-level-number-position:right;
1403        text-indent:-9.0pt;}
1404@list l2:level4
1405        {mso-level-tab-stop:none;
1406        mso-level-number-position:left;
1407        text-indent:-.25in;}
1408@list l2:level5
1409        {mso-level-number-format:alpha-lower;
1410        mso-level-tab-stop:none;
1411        mso-level-number-position:left;
1412        text-indent:-.25in;}
1413@list l2:level6
1414        {mso-level-number-format:roman-lower;
1415        mso-level-tab-stop:none;
1416        mso-level-number-position:right;
1417        text-indent:-9.0pt;}
1418@list l2:level7
1419        {mso-level-tab-stop:none;
1420        mso-level-number-position:left;
1421        text-indent:-.25in;}
1422@list l2:level8
1423        {mso-level-number-format:alpha-lower;
1424        mso-level-tab-stop:none;
1425        mso-level-number-position:left;
1426        text-indent:-.25in;}
1427@list l2:level9
1428        {mso-level-number-format:roman-lower;
1429        mso-level-tab-stop:none;
1430        mso-level-number-position:right;
1431        text-indent:-9.0pt;}
1432@list l3
1433        {mso-list-id:974749577;
1434        mso-list-type:hybrid;
1435        mso-list-template-ids:-1793575708 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1436@list l3:level1
1437        {mso-level-tab-stop:none;
1438        mso-level-number-position:left;
1439        margin-left:.75in;
1440        text-indent:-.25in;}
1441@list l3:level2
1442        {mso-level-number-format:alpha-lower;
1443        mso-level-tab-stop:none;
1444        mso-level-number-position:left;
1445        margin-left:1.25in;
1446        text-indent:-.25in;}
1447@list l3:level3
1448        {mso-level-number-format:roman-lower;
1449        mso-level-tab-stop:none;
1450        mso-level-number-position:right;
1451        margin-left:1.75in;
1452        text-indent:-9.0pt;}
1453@list l3:level4
1454        {mso-level-tab-stop:none;
1455        mso-level-number-position:left;
1456        margin-left:2.25in;
1457        text-indent:-.25in;}
1458@list l3:level5
1459        {mso-level-number-format:alpha-lower;
1460        mso-level-tab-stop:none;
1461        mso-level-number-position:left;
1462        margin-left:2.75in;
1463        text-indent:-.25in;}
1464@list l3:level6
1465        {mso-level-number-format:roman-lower;
1466        mso-level-tab-stop:none;
1467        mso-level-number-position:right;
1468        margin-left:3.25in;
1469        text-indent:-9.0pt;}
1470@list l3:level7
1471        {mso-level-tab-stop:none;
1472        mso-level-number-position:left;
1473        margin-left:3.75in;
1474        text-indent:-.25in;}
1475@list l3:level8
1476        {mso-level-number-format:alpha-lower;
1477        mso-level-tab-stop:none;
1478        mso-level-number-position:left;
1479        margin-left:4.25in;
1480        text-indent:-.25in;}
1481@list l3:level9
1482        {mso-level-number-format:roman-lower;
1483        mso-level-tab-stop:none;
1484        mso-level-number-position:right;
1485        margin-left:4.75in;
1486        text-indent:-9.0pt;}
1487@list l4
1488        {mso-list-id:1479684003;
1489        mso-list-type:hybrid;
1490        mso-list-template-ids:1678017270 -1895020378 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1491@list l4:level1
1492        {mso-level-tab-stop:none;
1493        mso-level-number-position:left;
1494        margin-left:.25in;
1495        text-indent:-.25in;}
1496@list l4:level2
1497        {mso-level-number-format:alpha-lower;
1498        mso-level-tab-stop:none;
1499        mso-level-number-position:left;
1500        margin-left:.75in;
1501        text-indent:-.25in;}
1502@list l4:level3
1503        {mso-level-number-format:roman-lower;
1504        mso-level-tab-stop:none;
1505        mso-level-number-position:right;
1506        margin-left:1.25in;
1507        text-indent:-9.0pt;}
1508@list l4:level4
1509        {mso-level-tab-stop:none;
1510        mso-level-number-position:left;
1511        margin-left:1.75in;
1512        text-indent:-.25in;}
1513@list l4:level5
1514        {mso-level-number-format:alpha-lower;
1515        mso-level-tab-stop:none;
1516        mso-level-number-position:left;
1517        margin-left:2.25in;
1518        text-indent:-.25in;}
1519@list l4:level6
1520        {mso-level-number-format:roman-lower;
1521        mso-level-tab-stop:none;
1522        mso-level-number-position:right;
1523        margin-left:2.75in;
1524        text-indent:-9.0pt;}
1525@list l4:level7
1526        {mso-level-tab-stop:none;
1527        mso-level-number-position:left;
1528        margin-left:3.25in;
1529        text-indent:-.25in;}
1530@list l4:level8
1531        {mso-level-number-format:alpha-lower;
1532        mso-level-tab-stop:none;
1533        mso-level-number-position:left;
1534        margin-left:3.75in;
1535        text-indent:-.25in;}
1536@list l4:level9
1537        {mso-level-number-format:roman-lower;
1538        mso-level-tab-stop:none;
1539        mso-level-number-position:right;
1540        margin-left:4.25in;
1541        text-indent:-9.0pt;}
1542@list l5
1543        {mso-list-id:1494641284;
1544        mso-list-type:hybrid;
1545        mso-list-template-ids:1178630220 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1546@list l5:level1
1547        {mso-level-tab-stop:none;
1548        mso-level-number-position:left;
1549        margin-left:.25in;
1550        text-indent:-.25in;}
1551@list l5:level2
1552        {mso-level-number-format:alpha-lower;
1553        mso-level-tab-stop:none;
1554        mso-level-number-position:left;
1555        margin-left:.75in;
1556        text-indent:-.25in;}
1557@list l5:level3
1558        {mso-level-number-format:roman-lower;
1559        mso-level-tab-stop:none;
1560        mso-level-number-position:right;
1561        margin-left:1.25in;
1562        text-indent:-9.0pt;}
1563@list l5:level4
1564        {mso-level-tab-stop:none;
1565        mso-level-number-position:left;
1566        margin-left:1.75in;
1567        text-indent:-.25in;}
1568@list l5:level5
1569        {mso-level-number-format:alpha-lower;
1570        mso-level-tab-stop:none;
1571        mso-level-number-position:left;
1572        margin-left:2.25in;
1573        text-indent:-.25in;}
1574@list l5:level6
1575        {mso-level-number-format:roman-lower;
1576        mso-level-tab-stop:none;
1577        mso-level-number-position:right;
1578        margin-left:2.75in;
1579        text-indent:-9.0pt;}
1580@list l5:level7
1581        {mso-level-tab-stop:none;
1582        mso-level-number-position:left;
1583        margin-left:3.25in;
1584        text-indent:-.25in;}
1585@list l5:level8
1586        {mso-level-number-format:alpha-lower;
1587        mso-level-tab-stop:none;
1588        mso-level-number-position:left;
1589        margin-left:3.75in;
1590        text-indent:-.25in;}
1591@list l5:level9
1592        {mso-level-number-format:roman-lower;
1593        mso-level-tab-stop:none;
1594        mso-level-number-position:right;
1595        margin-left:4.25in;
1596        text-indent:-9.0pt;}
1597@list l6
1598        {mso-list-id:2054574863;
1599        mso-list-type:hybrid;
1600        mso-list-template-ids:-1794201240 2114096650 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1601@list l6:level1
1602        {mso-level-tab-stop:none;
1603        mso-level-number-position:left;
1604        text-indent:-.25in;}
1605@list l6:level2
1606        {mso-level-number-format:alpha-lower;
1607        mso-level-tab-stop:none;
1608        mso-level-number-position:left;
1609        text-indent:-.25in;}
1610@list l6:level3
1611        {mso-level-number-format:roman-lower;
1612        mso-level-tab-stop:none;
1613        mso-level-number-position:right;
1614        text-indent:-9.0pt;}
1615@list l6:level4
1616        {mso-level-tab-stop:none;
1617        mso-level-number-position:left;
1618        text-indent:-.25in;}
1619@list l6:level5
1620        {mso-level-number-format:alpha-lower;
1621        mso-level-tab-stop:none;
1622        mso-level-number-position:left;
1623        text-indent:-.25in;}
1624@list l6:level6
1625        {mso-level-number-format:roman-lower;
1626        mso-level-tab-stop:none;
1627        mso-level-number-position:right;
1628        text-indent:-9.0pt;}
1629@list l6:level7
1630        {mso-level-tab-stop:none;
1631        mso-level-number-position:left;
1632        text-indent:-.25in;}
1633@list l6:level8
1634        {mso-level-number-format:alpha-lower;
1635        mso-level-tab-stop:none;
1636        mso-level-number-position:left;
1637        text-indent:-.25in;}
1638@list l6:level9
1639        {mso-level-number-format:roman-lower;
1640        mso-level-tab-stop:none;
1641        mso-level-number-position:right;
1642        text-indent:-9.0pt;}
1643ol
1644        {margin-bottom:0in;}
1645ul
1646        {margin-bottom:0in;}
1647-->
1648</style>
1649<!--[if gte mso 10]>
1650<style>
1651 /* Style Definitions */
1652 table.MsoNormalTable
1653        {mso-style-name:"Table Normal";
1654        mso-tstyle-rowband-size:0;
1655        mso-tstyle-colband-size:0;
1656        mso-style-noshow:yes;
1657        mso-style-priority:99;
1658        mso-style-parent:"";
1659        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1660        mso-para-margin:0in;
1661        mso-para-margin-bottom:.0001pt;
1662        mso-pagination:widow-orphan;
1663        font-size:10.0pt;
1664        font-family:"Calibri",sans-serif;
1665        mso-ascii-font-family:Calibri;
1666        mso-ascii-theme-font:minor-latin;
1667        mso-hansi-font-family:Calibri;
1668        mso-hansi-theme-font:minor-latin;
1669        mso-bidi-font-family:"Times New Roman";
1670        mso-bidi-theme-font:minor-bidi;}
1671</style>
1672<![endif]--><!--[if gte mso 9]><xml>
1673 <o:shapedefaults v:ext="edit" spidmax="1026"/>
1674</xml><![endif]--><!--[if gte mso 9]><xml>
1675 <o:shapelayout v:ext="edit">
1676  <o:idmap v:ext="edit" data="1"/>
1677 </o:shapelayout></xml><![endif]-->
1678</head>
1679
1680<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1681
1682<div class=WordSection1>
1683
1684<h1>Simple Magnetic Structures in GSAS-II </h1>
1685
1686<p><b>A video version of this tutorial is available at <a
1687href="https://anl.box.com/v/SimpleMagnetic" target="_blank">https://anl.box.com/v/SimpleMagnetic</a></b></p>
1688
1689<h2>Introduction</h2>
1690
1691<p class=MsoNormal>For magnetic neutron diffraction, the powder diffraction
1692structure factor consists of two non-interacting components.</p>
1693
1694<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1695
1696<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1697 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1698 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1699 <v:stroke joinstyle="miter"/>
1700 <v:formulas>
1701  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1702  <v:f eqn="sum @0 1 0"/>
1703  <v:f eqn="sum 0 0 @1"/>
1704  <v:f eqn="prod @2 1 2"/>
1705  <v:f eqn="prod @3 21600 pixelWidth"/>
1706  <v:f eqn="prod @3 21600 pixelHeight"/>
1707  <v:f eqn="sum @0 0 1"/>
1708  <v:f eqn="prod @6 1 2"/>
1709  <v:f eqn="prod @7 21600 pixelWidth"/>
1710  <v:f eqn="sum @8 21600 0"/>
1711  <v:f eqn="prod @7 21600 pixelHeight"/>
1712  <v:f eqn="sum @10 21600 0"/>
1713 </v:formulas>
1714 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1715 <o:lock v:ext="edit" aspectratio="t"/>
1716</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1099" type="#_x0000_t75"
1717 style='width:261pt;height:37.5pt;visibility:visible;mso-wrap-style:square'>
1718 <v:imagedata src="SimpleMagnetic_files/image001.png" o:title=""/>
1719</v:shape><![endif]--><![if !vml]><img border=0 width=348 height=50
1720src="SimpleMagnetic_files/image001.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
1721
1722<p class=MsoNormal>To have this result, one assumes that the neutron beam is
1723not polarized and there is only elastic scattering. The first term is the
1724ordinary nuclear structure factor found for all crystalline materials and the
1725second is the magnetic scattering. Note that the result is a sum of squares
1726implying that the nuclear and magnetic scattering intensities are summed to
1727give the total that is measured in a magnetic powder diffraction experiment.
1728This allows us to model the structure as two separate crystalline phases; one
1729consists of the arrangement of all the atoms in the crystal structure described
1730with a conventional unit cell and space group (the chemical or sometimes
1731&quot;nuclear&quot; structure), and the other contains only the magnetic atoms
1732in a perhaps different unit cell with a magnetic space group to describe the
1733atom and magnetic moment arrangement (the magnetic structure). Needless to say
1734the magnetic ions only have one set of positions, both phases must describe the
1735same atomic arrangement; positions of the magnetic ions will be linked, as
1736needed, by constraints between the phases in order to maintain this
1737arrangement.</p>
1738
1739<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1740
1741<p class=MsoNormal>The magnetic scattering component has two factors</p>
1742
1743<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1744
1745<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1746 id="Picture_x0020_2" o:spid="_x0000_i1098" type="#_x0000_t75" style='width:103.5pt;
1747 height:48pt;visibility:visible;mso-wrap-style:square'>
1748 <v:imagedata src="SimpleMagnetic_files/image002.png" o:title=""/>
1749</v:shape><![endif]--><![if !vml]><img border=0 width=138 height=64
1750src="SimpleMagnetic_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
1751
1752<p class=MsoNormal>The second term (<i style='mso-bidi-font-style:normal'>p<sub>m</sub></i>)
1753is a scalar containing the magnetic form factor (<span class=SpellE><i
1754style='mso-bidi-font-style:normal'>f<sub>m</sub></i></span>), the magnetic
1755moment magnitude (<i style='mso-bidi-font-style:normal'>S<sub>m</sub></i>) and
1756a scaling factor ~0.539x10<sup>-12</sup> cm and is on the same scale as the
1757normal neutron scattering lengths. Thus, magnetic scattering intensities are
1758similar to those from the chemical structure. The first term (<span
1759class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'>q<sub>m</sub></b></span></span>)
1760depends on the projection of the magnetic moment onto the scattering vector for
1761the reflection. If the scattering vector (unit vector <span class=SpellE><b
1762style='mso-bidi-font-weight:normal'>&#949;<sub>h</sub></b></span>) is parallel
1763to the magnetic (unit vector <b style='mso-bidi-font-weight:normal'>K<sub>m</sub></b>)
1764then the magnetic scattering intensity is zero and is large if the vectors are
1765perpendicular. Thus, one can anticipate the direction of the magnetic moment in
1766the structure by examining the observed magnetic intensities of low index
1767reflections.</p>
1768
1769<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1770
1771<p class=MsoNormal>In this exercise you will use GSAS-II to determine the
1772magnetic structure for a simple ferromagnet and a simple antiferromagnet. One
1773is LaMnO<sub>3</sub> which is an antiferromagnetic perovskite distorted by a
1774strong <span class=SpellE>Jahn</span>-Teller distortion to an orthorhombic
1775cell, and the other is LaMnO<sub>3</sub> doped with enough Ca to make it a
1776ferromagnet that is also orthorhombic. Neutron powder diffraction data for both
1777were obtained on BT-1 at the NIST reactor at 50K (thanks to Qingzhen Huang for
1778providing the data).</p>
1779
1780<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1781
1782<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1783
1784<h2>Simple Antiferromagnet: LaMnO<sub>3</sub></h2>
1785
1786<h3>Step 1: Read in the data file</h3>
1787
1788<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1789text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1790style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1791style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1792the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1793mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1794minor-latin'>Import/Powder Data/from GSAS powder data file</span></b> menu item
1795to read the data file into the current GSAS-II project. This read option is set
1796to read any of the powder data formats defined for GSAS (angles in <span
1797class=SpellE>centidegrees</span>, TOF in µsec). Other submenu items will read
1798the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1799style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1800mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
1801format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1802style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1803mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
1804format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
1805style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
1806Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1807normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1808minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1809mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1810style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1811menu entry to open this page and downloaded the exercise files (recommended),
1812then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1813style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1814mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1815minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
1816normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1817minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1818mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
1819Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
1820location where the files have been downloaded. (It is also possible to download
1821them manually from <a
1822href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
1823In this case you will need to navigate to the download location manually.)<br>
1824For this tutorial you should see the data file in the file browser, but if
1825extensions on data files are not the expected ones, you may need to change the
1826file type to <b style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find
1827the desired file.</span></p>
1828
1829<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1830auto;text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1833the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1834mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1835minor-latin'>CaMnO3_50K.gsas</span></b><span style='font-family:"Calibri",sans-serif;
1836mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1837minor-latin'> data</span> file in the first dialog and press <b
1838style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1839mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1840minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1841class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1842"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1843minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1844style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1845mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1846minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1847style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1848mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1849minor-latin'>Yes</span></b></span> button to proceed.</p>
1850
1851<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1852text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1853style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1854style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1855this data file does not define an instrument parameter file, a file dialog will
1856appear for you to select the correct instrument parameter file. Select <b
1857style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1858mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1859minor-latin'>BT1_Cu300.inst</span></b>; you may have to change the file type in
1860the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1861style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1862mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1863class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1864style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1865mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1866minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
1867
1868<h2><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_3"
1869 o:spid="_x0000_i1097" type="#_x0000_t75" style='width:319.5pt;height:216.75pt;
1870 visibility:visible;mso-wrap-style:square'>
1871 <v:imagedata src="SimpleMagnetic_files/image005.png" o:title=""/>
1872</v:shape><![endif]--><![if !vml]><img border=0 width=426 height=289
1873src="SimpleMagnetic_files/image037.png" v:shapes="Picture_x0020_3"><![endif]></span></h2>
1874
1875<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
1876powder pattern</p>
1877
1878<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1879 id="Picture_x0020_4" o:spid="_x0000_i1096" type="#_x0000_t75" style='width:359.25pt;
1880 height:307.5pt;visibility:visible;mso-wrap-style:square'>
1881 <v:imagedata src="SimpleMagnetic_files/image007.png" o:title=""/>
1882</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=410
1883src="SimpleMagnetic_files/image047.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
1884
1885<h3>Step 2: Select Limits </h3>
1886
1887<p class=MsoNormal><span style='mso-spacerun:yes'> </span>This pattern has more
1888data than we need, so it is helpful to cut down the range and one probably
1889doesn’t want to use the two very broad peaks at the upper end of the pattern as
1890they don’t contain much information for the magnetic structure. One also should
1891be careful in selecting the lower limit especially for magnetic structure
1892studies as a small peak may be hidden at low angles that can decisively
1893determine a magnetic structure (there are none in this example, but this issue
1894will be apparent in the next example). Click on the <b style='mso-bidi-font-weight:
1895normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1896minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Limits</span></b>
1897item in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1898"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
1899data tree</span></b>. Use the <b style='mso-bidi-font-weight:normal'><span
1900style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1901mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>New:</span></b>
1902set of entry boxes to set <span class=SpellE><b style='mso-bidi-font-weight:
1903normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1904minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmin</span></b></span>
1905and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1906style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1907mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b></span>
1908to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1909mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6 </span></b>and
1910<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1911mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1912minor-latin'>156</span></b>. Notice on the plot that the limit lines have moved
1913to these positions; the green lower limit is just below the 1<sup>st</sup> peak
1914and the red upper limit is just below that last two broad peaks. You may also
1915drag the limit lines to the desired location or place them by a left mouse
1916click on a data point for the lower limit or a right click on a data point for
1917the upper limit. The plot should look like</p>
1918
1919<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1920 id="Picture_x0020_5" o:spid="_x0000_i1095" type="#_x0000_t75" style='width:5in;
1921 height:308.25pt;visibility:visible;mso-wrap-style:square'>
1922 <v:imagedata src="SimpleMagnetic_files/image009.png" o:title=""/>
1923</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=411
1924src="SimpleMagnetic_files/image051.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
1925
1926<h3>Step 3: Read in the chemical structure for LaMnO<sub>3</sub></h3>
1927
1928<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1929text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
1930style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1931style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1932the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1933mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1934minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1935information for LaMnO<sub>3</sub> into the current GSAS-II project. This read
1936option is set to read Crystallographic Information Files (CIF). Other submenu
1937items will read phase information in other formats.<span
1938style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
1939Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1940normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1941minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1942mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1943style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1944menu entry to open this page and downloaded the exercise files (recommended),
1945then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1946style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1947mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1948minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
1949normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1950minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1951mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
1952Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
1953location where the files have been downloaded. (It is also possible to download
1954them manually from <a
1955href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
1956In this case you will need to navigate to the download location manually.)</span></p>
1957
1958<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1959auto;text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
1960style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1961style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1962the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1963mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1964minor-latin'>LaMnO3.cif</span></b><span style='font-family:"Calibri",sans-serif;
1965mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1966minor-latin'> data</span> file in the first dialog and press <b
1967style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1968mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1969minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1970class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1971"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1972minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1973style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1974mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1975minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1976style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1977mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1978minor-latin'>Yes</span></b></span> button to proceed. You will get the
1979opportunity to change the phase name next; press <b style='mso-bidi-font-weight:
1980normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1981minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1982to continue.</p>
1983
1984<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1985auto;text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
1986style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1987style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1988is the histogram selection window; this connects the phase to the data so it
1989can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span></p>
1990
1991<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1992auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1993 o:spid="_x0000_i1094" type="#_x0000_t75" style='width:283.5pt;height:228.75pt;
1994 visibility:visible;mso-wrap-style:square'>
1995 <v:imagedata src="SimpleMagnetic_files/image011.png" o:title=""/>
1996</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=305
1997src="SimpleMagnetic_files/image011.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1998
1999<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>Select
2000the histogram (or press <b style='mso-bidi-font-weight:normal'><span
2001style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2002mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
2003and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2004mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2005minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
2006<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
2007 o:spid="_x0000_i1093" type="#_x0000_t75" style='width:340.5pt;height:175.5pt;
2008 visibility:visible;mso-wrap-style:square'>
2009 <v:imagedata src="SimpleMagnetic_files/image012.png" o:title=""/>
2010</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=234
2011src="SimpleMagnetic_files/image078.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
2012
2013<h3>Step 4. Check powder pattern indexing</h3>
2014
2015<p class=MsoNormal>Here the objective is to determine how the reflection
2016positions generated from the chemical (“nuclear”) crystal structure lattice
2017match up with the peaks observed for this antiferromagnet. </p>
2018
2019<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
2020text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
2021style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2022style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
2023<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2024mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2025minor-latin'>Unit Cells List</span></b> from the tree entries under the
2026histogram (begins with PWDR); the Indexing controls will be shown<br>
2027<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
2028 o:spid="_x0000_i1092" type="#_x0000_t75" style='width:341.25pt;height:122.25pt;
2029 visibility:visible;mso-wrap-style:square'>
2030 <v:imagedata src="SimpleMagnetic_files/image014.png" o:title=""/>
2031</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=163
2032src="SimpleMagnetic_files/image080.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
2033
2034<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2035auto'>This can use lattice parameters &amp; space groups to generate expected reflection
2036positions to check against the peaks in the powder pattern. </p>
2037
2038<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2039auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
2040style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2041style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>One
2042could then enter <span class=SpellE>Bravais</span> lattice, choose space group
2043&amp; enter lattice parameters by hand, but the easy way is to use the chemical
2044lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
2045style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2046mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
2047Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
2048appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
2049style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2050mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3</span></b>).
2051This was taken from the Phases present in this project; there could be more
2052than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
2053normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2054minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
2055Index/Refine/Import</span></b> menu item allows you to get lattice information
2056from any one of the other phase containing files known to GSAS-II. Press <b
2057style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2058mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2059minor-latin'>OK</span></b> and the Indexing controls will be change<br>
2060<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_76"
2061 o:spid="_x0000_i1091" type="#_x0000_t75" style='width:345pt;height:109.5pt;
2062 visibility:visible;mso-wrap-style:square'>
2063 <v:imagedata src="SimpleMagnetic_files/image084.png" o:title=""/>
2064</v:shape><![endif]--><![if !vml]><img border=0 width=460 height=146
2065src="SimpleMagnetic_files/image081.png" v:shapes="Picture_x0020_76"><![endif]></span><br>
2066showing the lattice constants for LaMnO<sub>3</sub> you had obtained from the <span
2067class=SpellE>cif</span> file. Note that the space group is set to that of the space
2068group for LaMnO<sub>3</sub> (P n m a) and the lines will reflect the extinction
2069rules for this space group. </p>
2070
2071<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2072auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
2073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Change
2075the space group to <b style='mso-bidi-font-weight:normal'><span
2076style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2077mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m <span
2078class=SpellE>m</span> <span class=SpellE>m</span></span></b> to see all the
2079lines for this lattice (near the bottom of the pull down); the indexing will
2080immediately change<br style='mso-special-character:line-break'>
2081<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
2082<![endif]></p>
2083
2084<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2085auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10"
2086 o:spid="_x0000_i1090" type="#_x0000_t75" style='width:342pt;height:293.25pt;
2087 visibility:visible;mso-wrap-style:square'>
2088 <v:imagedata src="SimpleMagnetic_files/image018.png" o:title=""/>
2089</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=391
2090src="SimpleMagnetic_files/image082.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
2091
2092<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2093auto'>This is the reflection set for the <span class=SpellE>Bravais</span><span
2094style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
2095lattice <span class=SpellE>Pmmm</span> which includes reflections that may be
2096space group extinct and/or magnetically extinct. N.B., a reflection that is
2097extinct due to the chemical structure space group could still be allowed for
2098magnetic scattering.</span></p>
2099
2100<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2101auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
2102style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2103style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Zoom
2104in on the lowest part of the pattern to see details of the indexing<br>
2105<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11"
2106 o:spid="_x0000_i1089" type="#_x0000_t75" style='width:340.5pt;height:291.75pt;
2107 visibility:visible;mso-wrap-style:square'>
2108 <v:imagedata src="SimpleMagnetic_files/image020.png" o:title=""/>
2109</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=389
2110src="SimpleMagnetic_files/image083.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
2111
2112<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2113auto'>Note that every observed peak is indexed (unfortunately the peak at
2114~15.69°2&#920; is probably a contaminant – it doesn’t exactly match the two
2115calculated lines that straddle it).</p>
2116
2117<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2118auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
2119style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2120style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Change
2121the space group back to <b style='mso-bidi-font-weight:normal'><span
2122style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2123mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m n a</span></b>
2124(near the bottom of the pull down); the indexing will immediately change</p>
2125
2126<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2127auto'><span style='mso-no-proof:yes'><span style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape
2128 id="Picture_x0020_12" o:spid="_x0000_i1088" type="#_x0000_t75" style='width:342pt;
2129 height:293.25pt;visibility:visible;mso-wrap-style:square'>
2130 <v:imagedata src="SimpleMagnetic_files/image022.png" o:title=""/>
2131</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=391
2132src="SimpleMagnetic_files/image085.png" v:shapes="Picture_x0020_12"><![endif]></span><br>
2133Notice that the 1<sup>st</sup> peak (as well as the contaminant) is no longer
2134indexed; this is likely to be a <span class=GramE>magnetic</span> only peak as
2135expected from an antiferromagnet; there is another at ~34.4°2&#920;. Reset the
2136space group to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2137"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2138minor-latin;mso-bidi-theme-font:minor-latin'>P m <span class=SpellE>m</span> <span
2139class=SpellE>m</span></span></b> and put the cursor on these two in turn; a
2140popup box will tell you they are the (0,1,0) and (0,1,2) reflections. The two
2141straddling the contaminating peak are the (1<span class=GramE>,0,0</span>) and
2142(0,0,1) reflections; they may be magnetically extinct. There are others that
2143show for <span class=SpellE>Pmmm</span> but vanish for <span class=SpellE>Pnma</span>
2144and have no visible intensity. We don’t know yet if they are magnetically
2145allowed or are zero because of the magnetic moment direction.</p>
2146
2147<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2148auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
2149style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2150style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Reset
2151the space group to <b style='mso-bidi-font-weight:normal'><span
2152style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2153mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P n m a</span></b>;
2154the reflections will again be updated. Then check the box <b style='mso-bidi-font-weight:
2155normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2156minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Magnetic?</span></b>;
2157the tab will be changed showing some more options</p>
2158
2159<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2160auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_13"
2161 o:spid="_x0000_i1087" type="#_x0000_t75" style='width:339.75pt;height:123pt;
2162 visibility:visible;mso-wrap-style:square'>
2163 <v:imagedata src="SimpleMagnetic_files/image024.png" o:title=""/>
2164</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=164
2165src="SimpleMagnetic_files/image086.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
2166
2167<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2168auto'><span class=GramE>and</span> the powder indexing lines will also change
2169showing every line to be indexed for the magnetic space group “P n m a”.
2170However there are other spin selections (8 in all!) that might be possible. We
2171have to introduce some “time reversal” operations (or “spin flips”). These are
2172given by a choice of “<b style='mso-bidi-font-weight:normal'><span
2173style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2174mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
2175or “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2176mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2177minor-latin'>black</span></b>” for mx, my &amp; <span class=SpellE>mz</span>
2178(the 3 mirrors in <span class=SpellE>Pnma</span>). Try them out by selecting “<b
2179style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2180mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2181minor-latin'>black</span></b>” or “<b style='mso-bidi-font-weight:normal'><span
2182style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2183mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
2184for each; each time the plot will show the allowed reflections. Unfortunately
2185this is not very definitive for selecting the magnetic space group; 4 choices
2186will index the 1<sup>st</sup> line &amp; 4 will not. The allowed ones are <span
2187class=SpellE>bbb</span>, <span class=SpellE>rrr</span>, brb &amp; <span
2188class=SpellE>rbr</span> (b=black &amp; r=red). In order to reject the <span
2189class=SpellE>rrr</span> &amp; <span class=SpellE>bbb</span> choices, you have
2190to assume that the peak at ~15.69°2&#920; is a contaminant and that the two
2191reflections next to it 100 &amp; 001 are indeed absent; this leaves two
2192choices, <span class=SpellE>Pn’ma</span>’ and <span class=SpellE>Pnm’a</span>.
2193If you press the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2194style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2195mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>ShowSpins</span></b></span><b
2196style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2197mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2198minor-latin'>?</span></b> <span class=GramE>button</span>, a popup window will
2199appear showing the magnetic symmetry operators with spin inversion ones in red.
2200For <span class=SpellE>Pn’ma</span>’ (e.g. <span class=SpellE>rbr</span>) the
2201operators are</p>
2202
2203<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2204auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_14"
2205 o:spid="_x0000_i1086" type="#_x0000_t75" style='width:192pt;height:160.5pt;
2206 visibility:visible;mso-wrap-style:square'>
2207 <v:imagedata src="SimpleMagnetic_files/image026.png" o:title=""/>
2208</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
2209src="SimpleMagnetic_files/image087.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
2210
2211<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2212auto'><span class=GramE>and</span> the ones for <span class=SpellE>Pnm’a</span>
2213(e.g. brb) are</p>
2214
2215<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2216auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15"
2217 o:spid="_x0000_i1085" type="#_x0000_t75" style='width:192pt;height:160.5pt;
2218 visibility:visible;mso-wrap-style:square'>
2219 <v:imagedata src="SimpleMagnetic_files/image028.png" o:title=""/>
2220</v:shape><![endif]--><![if !vml]><img border=0 width=256 height=214
2221src="SimpleMagnetic_files/image088.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
2222
2223<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>It
2224is worthwhile noticing that the inversion operator (-1) is red in the latter
2225but not in the former since an atom at an inversion center cannot have a
2226magnetic moment if there is also spin inversion. More about this later. One
2227other point is that certain space groups (e.g. P 2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>)
2228only allow an even number of spin inversions; GSAS-II will always enforce this
2229by setting the spin flags accordingly, so getting a desired arrangement might
2230take a bit of trial-and-error selection to get what you want. Press <b
2231style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2232mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2233minor-latin'>OK</span></b> to get rid of the popup box. To narrow down the
2234choice we have to examine what happens to the atoms for each choice. In some
2235cases the choice might not allow the <span class=SpellE>Mn</span> atom to have
2236a magnetic moment so it must be rejected. We will try this in the next step. </p>
2237
2238<h3>Step 5. Make the magnetic phase</h3>
2239
2240<p class=MsoNormal>In the previous step we did not have to resort to any
2241doubling of a cell axis to explain the suite of magnetic reflections, so the
2242propagation vector is zero (we will see this in later magnetic tutorials). To
2243make the magnetic cell from the chemical cell we will use the transform tool
2244that is in GSAS-II in the General tab for the chemical structure. That tab is</p>
2245
2246<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2247 id="Picture_x0020_16" o:spid="_x0000_i1084" type="#_x0000_t75" style='width:359.25pt;
2248 height:177pt;visibility:visible;mso-wrap-style:square'>
2249 <v:imagedata src="SimpleMagnetic_files/image030.png" o:title=""/>
2250</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=236
2251src="SimpleMagnetic_files/image089.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
2252
2253<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
2254style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2255mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute</span></b>
2256menu item do <b style='mso-bidi-font-weight:normal'><span style='font-family:
2257"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2258minor-latin;mso-bidi-theme-font:minor-latin'>Transform</span></b>; a new popup
2259dialog box will appear with stuff needed to effect a cell transformation.</p>
2260
2261<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2262 id="Picture_x0020_78" o:spid="_x0000_i1083" type="#_x0000_t75" style='width:274.5pt;
2263 height:315pt;visibility:visible;mso-wrap-style:square'>
2264 <v:imagedata src="SimpleMagnetic_files/image097.png" o:title=""/>
2265</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=420
2266src="SimpleMagnetic_files/image097.png" v:shapes="Picture_x0020_78"><![endif]></span></p>
2267
2268<p class=MsoNormal>The order of operations for the transformation is given at
2269the top of the window; the U vector permits applying an origin shift to the
2270atom coordinates before the transformation and the V vector is for an origin
2271shift after the transformation. The lattice parameters are transformed by
2272changing the metric tensor via</p>
2273
2274<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2275
2276<p class=MsoNormal><span class=GramE>g</span>’ = <span class=SpellE>gM</span></p>
2277
2278<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2279
2280<p class=MsoNormal>The atoms positions are transformed via</p>
2281
2282<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2283
2284<p class=MsoNormal>X’ = M*(X-U<span class=GramE>)+</span>V</p>
2285
2286<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2287
2288<p class=MsoNormal><span class=GramE>where</span> M* is the inverse of the
2289transformation matrix. The anisotropic thermal parameters are transformed via</p>
2290
2291<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2292
2293<p class=MsoNormal>U’ = M<sup>T</sup>UM/<span class=SpellE><span class=GramE>det</span></span><span
2294class=GramE>(</span>M)</p>
2295
2296<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2297
2298<p class=MsoNormal>The dialog box gives an extensive list of commonly used
2299transformations for e.g. swapping axes. In this case we are not transforming
2300the unit cell so the matrix is just the unit matrix (ones on diagonal) and we
2301are not shifting the origin so U &amp; V are zeros. We do want the new phase to
2302be magnetic so press the <b style='mso-bidi-font-weight:normal'><span
2303style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2304mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Make new
2305phase magnetic</span></b> button; the dialog will be redrawn</p>
2306
2307<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2308 id="Picture_x0020_79" o:spid="_x0000_i1082" type="#_x0000_t75" style='width:296.25pt;
2309 height:348pt;visibility:visible;mso-wrap-style:square'>
2310 <v:imagedata src="SimpleMagnetic_files/image098.png" o:title=""/>
2311</v:shape><![endif]--><![if !vml]><img border=0 width=395 height=464
2312src="SimpleMagnetic_files/image098.png" v:shapes="Picture_x0020_79"><![endif]></span></p>
2313
2314<p class=MsoNormal>This allows one to select possible magnetic spin inversions
2315and lattice centering operations as given by the BNS nomenclature. This can be
2316needed if one had discovered a requirement of doubling a cell axis in the
2317previous step (e.g. a nonzero propagation vector). This is not required in this
2318case and we are using the space group (<span class=SpellE>Pnma</span>) for the
2319magnetic cell; we will be setting the spins (<span class=SpellE>mx<span
2320class=GramE>,my,mz</span></span>) later as well. Leave the box at the bottom
2321about constraints checked as we want them to tie the two phases together.<span
2322style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:normal'><span
2323style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2324mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
2325to continue; a new popup will appear</p>
2326
2327<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2328 id="Picture_x0020_80" o:spid="_x0000_i1081" type="#_x0000_t75" style='width:258pt;
2329 height:92.25pt;visibility:visible;mso-wrap-style:square'>
2330 <v:imagedata src="SimpleMagnetic_files/image099.png" o:title=""/>
2331</v:shape><![endif]--><![if !vml]><img border=0 width=344 height=123
2332src="SimpleMagnetic_files/image099.png" v:shapes="Picture_x0020_80"><![endif]></span></p>
2333
2334<p class=MsoNormal>You see the magnetic atom position, allowed <span
2335class=SpellE>magntic</span> moments and magnetic site symmetry.</p>
2336
2337<p class=MsoNormal>This allows one to reject certain atoms that are known to
2338not be magnetic; press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2339style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2340mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
2341to continue. A new phase will be created and the General tab for it will be shown.</p>
2342
2343<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2344 id="_x0000_i1080" type="#_x0000_t75" style='width:357pt;height:206.25pt;
2345 visibility:visible;mso-wrap-style:square'>
2346 <v:imagedata src="SimpleMagnetic_files/image035.png" o:title=""/>
2347</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=275
2348src="SimpleMagnetic_files/image090.png" v:shapes="_x0000_i1080"><![endif]></span></p>
2349
2350<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
2351type is magnetic and there are magnetic spin operator selections part way down
2352the page. You also can see the <span class=SpellE>Lande</span>’ g factor can be
2353changed if needed and it only contains the <span class=SpellE>Mn</span> atom.
2354To see what happened with respect to constraints, select <b style='mso-bidi-font-weight:
2355normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2356minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
2357from the main part of the GSAS-II data tree. The ones for phases will be shown</p>
2358
2359<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2360 id="Picture_x0020_81" o:spid="_x0000_i1079" type="#_x0000_t75" style='width:360.75pt;
2361 height:153.75pt;visibility:visible;mso-wrap-style:square'>
2362 <v:imagedata src="SimpleMagnetic_files/image029.png" o:title=""/>
2363</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=205
2364src="SimpleMagnetic_files/image091.png" v:shapes="Picture_x0020_81"><![endif]></span></p>
2365
2366<p class=MsoNormal>This shows all the possible required constraints between the
2367chemical structure and the magnetic one (the ones for <span class=SpellE>U<sub>ij</sub></span>
2368are not generated). The first two are for the <span class=SpellE>Mn</span>
2369atom; only the <span class=SpellE>Uiso</span> one is probably necessary for
2370this analysis but the other one will do no harm. The last three tie the
2371lattices together. Select the <span class=SpellE><b style='mso-bidi-font-weight:
2372normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2373minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Histgram</span></b></span><b
2374style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2375mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2376minor-latin'>/Phase</span></b> tab</p>
2377
2378<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2379 id="Picture_x0020_22" o:spid="_x0000_i1078" type="#_x0000_t75" style='width:361.5pt;
2380 height:130.5pt;visibility:visible;mso-wrap-style:square'>
2381 <v:imagedata src="SimpleMagnetic_files/image039.png" o:title=""/>
2382</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=174
2383src="SimpleMagnetic_files/image095.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
2384
2385<p class=MsoNormal>This gives the constraints between the two phases for scale
2386factors (e.g. phase fractions) and the size &amp; mustrain sample broadening
2387terms. NB: this assumes isotropic modelling of both because the original LaMnO<sub>3</sub>
2388was modeled that way. If you want to use one of the more complex sample
2389broadening models, you will have to revisit this tab and put in the appropriate
2390entries to tie those parameters together.</p>
2391
2392<h3>Step 6. Select spin configuration</h3>
2393
2394<p class=MsoNormal>Recall that we had found 2 spin configurations that were
2395consistent with the observed peaks; <span class=SpellE>Pn’ma</span>’ and <span
2396class=SpellE>Pnm’a</span> (there was also the possibility of <span
2397class=SpellE>Pnma</span> or <span class=SpellE>Pn’m’a</span>’ if one chose not
2398to ignore that contaminating peak at ~15.69°2&#920;). First let’s try <span
2399class=SpellE>Pnm’a</span>; select “<b style='mso-bidi-font-weight:normal'><span
2400style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2401mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
2402for the middle spin selector (<b style='mso-bidi-font-weight:normal'><span
2403style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2404mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>my</span></b>);
2405the window will be refreshed. Then select the <b style='mso-bidi-font-weight:
2406normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2407minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2408tab; it will show</p>
2409
2410<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2411 id="Picture_x0020_23" o:spid="_x0000_i1077" type="#_x0000_t75" style='width:358.5pt;
2412 height:85.5pt;visibility:visible;mso-wrap-style:square'>
2413 <v:imagedata src="SimpleMagnetic_files/image041.png" o:title=""/>
2414</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=114
2415src="SimpleMagnetic_files/image100.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
2416
2417<p class=MsoNormal>The boxes that carry the magnetic moment components (<span
2418class=SpellE>Mx</span>, My &amp; <span class=SpellE>Mz</span>) are grey
2419indicating that no magnetic moment is allowed for the <span class=SpellE>Mn</span>
2420atom site in the space group <span class=SpellE>Pnm’a</span>. The site symmetry
2421is marked as -1’ indicating an inversion center with spin inversion; this
2422precludes a magnetic moment. So we need to try the other choice, <span
2423class=SpellE>Pn’ma</span>’. Return to the <b style='mso-bidi-font-weight:normal'><span
2424style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2425mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
2426tab and change the <b style='mso-bidi-font-weight:normal'><span
2427style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2428mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>mx</span></b>,
2429<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2430mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2431minor-latin'>my</span></b> &amp; <span class=SpellE><b style='mso-bidi-font-weight:
2432normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2433minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>mz</span></b></span>
2434spin operators to “<b style='mso-bidi-font-weight:normal'><span
2435style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2436mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”,
2437“<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2438mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2439minor-latin'>black</span></b>” &amp; “<b style='mso-bidi-font-weight:normal'><span
2440style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2441mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”,
2442respectively. The tab will refresh at each change. When done it should look
2443like</p>
2444
2445<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2446 id="Picture_x0020_24" o:spid="_x0000_i1076" type="#_x0000_t75" style='width:5in;
2447 height:177.75pt;visibility:visible;mso-wrap-style:square'>
2448 <v:imagedata src="SimpleMagnetic_files/image043.png" o:title=""/>
2449</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=237
2450src="SimpleMagnetic_files/image101.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
2451
2452<p class=MsoNormal>It now shows the magnetic space group as <span class=SpellE>Pn’ma</span>’.
2453The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2454mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2455minor-latin'>Atoms</span></b> tab now shows</p>
2456
2457<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2458 id="Picture_x0020_25" o:spid="_x0000_i1075" type="#_x0000_t75" style='width:358.5pt;
2459 height:93pt;visibility:visible;mso-wrap-style:square'>
2460 <v:imagedata src="SimpleMagnetic_files/image045.png" o:title=""/>
2461</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=124
2462src="SimpleMagnetic_files/image102.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
2463
2464<p class=MsoNormal><span class=GramE>with</span> 0.0 in each of the magnetic
2465moment components, because the site symmetry is -1 which allows a magnetic
2466moment. We can now give the <span class=SpellE>Mn</span> atom a magnetic
2467moment. You can also try the other two choices, <span class=SpellE>Pnma</span>
2468and <span class=SpellE>Pn’m’a</span>’. The latter can be rejected immediately
2469because the -1 operator has spin inversion (use the <b style='mso-bidi-font-weight:
2470normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2471minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Show
2472spins?</span></b> button to show the operators), leaving only <span
2473class=SpellE>Pnma</span> as a possibility along with <span class=SpellE>Pn’ma</span>’.
2474Both allow the <span class=SpellE>Mn</span> site to have a magnetic moment. Put
2475the choice to <span class=SpellE>Pn’ma</span>’ (“red”, “black” &amp; “red”);
2476we’ll test <span class=SpellE>Pnma</span> later. This might be a good place to
2477save the project; I called it “<b style='mso-bidi-font-weight:normal'><span
2478style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2479mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3.gpx</span></b>”.</p>
2480
2481<h3>Step 7. Solving the magnetic structure</h3>
2482
2483<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
2484style='mso-fareast-font-family:"Calibri Light";mso-fareast-theme-font:major-latin;
2485mso-bidi-font-family:"Calibri Light";mso-bidi-theme-font:major-latin'><span
2486style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;
2487</span></span></span><![endif]>Test the <span class=SpellE>Pn’ma</span>’ model</h4>
2488
2489<p class=MsoNormal>So now we have one or maybe two spin arrangements to
2490consider, <span class=SpellE>Pn’ma</span>’ and possibly <span class=SpellE>Pnma</span>,
2491but we do not know the magnetic moment components, <span class=SpellE>Mx</span>,
2492My &amp; <span class=SpellE>Mz</span>. However, since the 1<sup>st </sup>reflection
2493(the 010) is magnetic and strong, it is likely that the value of <span
2494class=GramE>My=</span>0. We can force this (to avoid refinement problems) by
2495making a ‘hold’ on its value. Select the <b style='mso-bidi-font-weight:normal'><span
2496style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2497mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
2498item from the GSAS-II tree; it will show the constraints generated when the
2499magnetic phase was made</p>
2500
2501<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2502 id="Picture_x0020_82" o:spid="_x0000_i1074" type="#_x0000_t75" style='width:363.75pt;
2503 height:154.5pt;visibility:visible;mso-wrap-style:square'>
2504 <v:imagedata src="SimpleMagnetic_files/image029.png" o:title=""/>
2505</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=206
2506src="SimpleMagnetic_files/image103.png" v:shapes="Picture_x0020_82"><![endif]></span></p>
2507
2508<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
2509style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2510mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit <span
2511class=SpellE>Costr</span>.</span></b> <span class=GramE>menu</span> item do <b
2512style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2513mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2514minor-latin'>Add hold</span></b>; a Hold phase variable window will appear</p>
2515
2516<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2517 id="Picture_x0020_34" o:spid="_x0000_i1073" type="#_x0000_t75" style='width:333pt;
2518 height:168.75pt;visibility:visible;mso-wrap-style:square'>
2519 <v:imagedata src="SimpleMagnetic_files/image049.png" o:title=""/>
2520</v:shape><![endif]--><![if !vml]><img border=0 width=444 height=225
2521src="SimpleMagnetic_files/image105.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
2522
2523<p class=MsoNormal>Scroll down to the bottom and select <b style='mso-bidi-font-weight:
2524normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2525minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1:<span
2526class=GramE>:AMy:0</span></span></b> and press <b style='mso-bidi-font-weight:
2527normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2528minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
2529The constraints will have a new entry giving the hold on <span class=GramE>My</span>
2530for the <span class=SpellE>Mn</span> atom at the bottom of the list. </p>
2531
2532<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2533 id="Picture_x0020_83" o:spid="_x0000_i1072" type="#_x0000_t75" style='width:360.75pt;
2534 height:180pt;visibility:visible;mso-wrap-style:square'>
2535 <v:imagedata src="SimpleMagnetic_files/image042.png" o:title=""/>
2536</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=240
2537src="SimpleMagnetic_files/image107.png" v:shapes="Picture_x0020_83"><![endif]></span></p>
2538
2539<p class=MsoNormal>Now return to phases and select <b style='mso-bidi-font-weight:
2540normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2541minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La
2542<span class=SpellE>Mn</span> O3 mag</span></b> and the <b style='mso-bidi-font-weight:
2543normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2544minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2545tab; you should see</p>
2546
2547<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2548 id="Picture_x0020_37" o:spid="_x0000_i1071" type="#_x0000_t75" style='width:366.75pt;
2549 height:75.75pt;visibility:visible;mso-wrap-style:square'>
2550 <v:imagedata src="SimpleMagnetic_files/image053.png" o:title=""/>
2551</v:shape><![endif]--><![if !vml]><img border=0 width=489 height=101
2552src="SimpleMagnetic_files/image108.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
2553
2554<p class=MsoNormal>The least squares will not begin a refinement of <span
2555class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span> starting from zero
2556since either +/- values are equally possible; the result will be a singularity.
2557So these values must be offset so set them to <b style='mso-bidi-font-weight:
2558normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2559minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
2560each. Save the project as <b style='mso-bidi-font-weight:normal'><span
2561style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2562mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3 try1</span></b>.
2563Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2564mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2565minor-latin'>Calculate/Refine</span></b>; the refinement will quickly converge
2566to <span class=SpellE>Rwp</span> ~14% and the powder plot will look like</p>
2567
2568<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2569 id="Picture_x0020_30" o:spid="_x0000_i1070" type="#_x0000_t75" style='width:359.25pt;
2570 height:329.25pt;visibility:visible;mso-wrap-style:square'>
2571 <v:imagedata src="SimpleMagnetic_files/image055.png" o:title=""/>
2572</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=439
2573src="SimpleMagnetic_files/image109.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
2574
2575<p class=MsoNormal>There does not appear to be any calculated magnetic
2576intensity, but a zoom onto the low angle (10-30°2&#920;) part of the pattern
2577shows that some intensity was obtained, but clearly not enough.</p>
2578
2579<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2580 id="Picture_x0020_31" o:spid="_x0000_i1069" type="#_x0000_t75" style='width:358.5pt;
2581 height:329.25pt;visibility:visible;mso-wrap-style:square'>
2582 <v:imagedata src="SimpleMagnetic_files/image057.png" o:title=""/>
2583</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=439
2584src="SimpleMagnetic_files/image113.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
2585
2586<p class=MsoNormal>The magnetic moment is clearly too small; to let the least
2587squares find a better value set the refine flag for <span class=SpellE>Mn</span>
2588to ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2589mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2590minor-latin'>M</span></b>’ and repeat <b style='mso-bidi-font-weight:normal'><span
2591style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2592mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2593The residual will drop considerably to <span class=SpellE>Rwp</span> ~8.7% and
2594the low angle portion will show a much better fit.</p>
2595
2596<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2597 id="Picture_x0020_32" o:spid="_x0000_i1068" type="#_x0000_t75" style='width:359.25pt;
2598 height:330pt;visibility:visible;mso-wrap-style:square'>
2599 <v:imagedata src="SimpleMagnetic_files/image059.png" o:title=""/>
2600</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=440
2601src="SimpleMagnetic_files/image115.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
2602
2603<p class=MsoNormal>This appears to be a reasonable solution; a more complete
2604refinement still needs to be done, we’ll do that in the next step after we test
2605the <span class=SpellE>Pnma</span> model. Save the project (should be <b
2606style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2607mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2608minor-latin'>LaMnO3 try1</span></b>).</p>
2609
2610<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
2611style='mso-fareast-font-family:"Calibri Light";mso-fareast-theme-font:major-latin;
2612mso-bidi-font-family:"Calibri Light";mso-bidi-theme-font:major-latin'><span
2613style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;
2614</span></span></span><![endif]>Test the <span class=SpellE>Pnma</span> model</h4>
2615
2616<p class=MsoNormal>Now reopen the original <b style='mso-bidi-font-weight:normal'><span
2617style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2618mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3.gpx</span></b>
2619file saved at the end of Step 6 above. Select <b style='mso-bidi-font-weight:
2620normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2621minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La
2622<span class=SpellE>Mn</span> O3 mag</span></b> phase from the GSAS-II tree; the
2623General tab will be shown</p>
2624
2625<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2626 id="Picture_x0020_33" o:spid="_x0000_i1067" type="#_x0000_t75" style='width:360.75pt;
2627 height:204pt;visibility:visible;mso-wrap-style:square'>
2628 <v:imagedata src="SimpleMagnetic_files/image061.png" o:title=""/>
2629</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=272
2630src="SimpleMagnetic_files/image116.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
2631
2632<p class=MsoNormal>Now set the spin operators to all “<b style='mso-bidi-font-weight:
2633normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2634minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>black</span></b>”
2635for <span class=SpellE>Pnma</span> and then select the <b style='mso-bidi-font-weight:
2636normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2637minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2638tab</p>
2639
2640<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2641 id="Picture_x0020_18" o:spid="_x0000_i1066" type="#_x0000_t75" style='width:358.5pt;
2642 height:1in;visibility:visible;mso-wrap-style:square'>
2643 <v:imagedata src="SimpleMagnetic_files/image063.png" o:title=""/>
2644</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=96
2645src="SimpleMagnetic_files/image117.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
2646
2647<p class=MsoNormal>Again, one can make the same argument that since the 010
2648reflection is large then <span class=GramE>My</span> should be zero. Set <span
2649class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2650"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2651minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span> &amp; <span
2652class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2653"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2654minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span> to 1.0 and
2655then go to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2656"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2657minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b> and set the
2658hold on <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2659mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2660minor-latin'>1:<span class=GramE>:AMy:0</span></span></b>. Save the project as <b
2661style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2662mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2663minor-latin'>LaMnO3 try2</span></b>. Do <b style='mso-bidi-font-weight:normal'><span
2664style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2665mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2666from the main menu to do a Rietveld refinement. It converges to <span
2667class=SpellE>Rwp</span> ~14%; about the same as the <span class=SpellE>Pn’ma</span>’
2668model at the same step. The low angle portion of the powder pattern shows</p>
2669
2670<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2671 id="Picture_x0020_19" o:spid="_x0000_i1065" type="#_x0000_t75" style='width:357.75pt;
2672 height:328.5pt;visibility:visible;mso-wrap-style:square'>
2673 <v:imagedata src="SimpleMagnetic_files/image065.png" o:title=""/>
2674</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=438
2675src="SimpleMagnetic_files/image118.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
2676
2677<p class=MsoNormal>There is intensity in the lowest angle reflection (the 010)
2678but not enough. Again we’ll try to refine the <span class=SpellE>Mx</span>
2679&amp; <span class=SpellE>Mz</span> components to see what happens. Set the
2680refine flag for <span class=SpellE>Mn</span> to ‘<b style='mso-bidi-font-weight:
2681normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2682minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’
2683and repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:
2684"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2685minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>. The
2686residual will drop to <span class=SpellE>Rwp</span> ~10% and the low angle
2687portion will show a much better fit which is very similar, but slightly poorer
2688than the result from the <span class=SpellE>Pn’ma</span>’ model. To see how,
2689examine a slightly higher angle region (30-55°2&#920;) and compare it with the
2690same region for the plot for the <span class=SpellE>Pn’ma</span>’ model (you’ll
2691need 2 instances of GSAS-II running to do this)</p>
2692
2693<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2694 id="Picture_x0020_20" o:spid="_x0000_i1064" type="#_x0000_t75" style='width:357.75pt;
2695 height:147pt;visibility:visible;mso-wrap-style:square'>
2696 <v:imagedata src="SimpleMagnetic_files/image104.png" o:title=""/>
2697</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=196
2698src="SimpleMagnetic_files/image122.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
2699
2700<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2701 id="Picture_x0020_21" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:357.75pt;
2702 height:138pt;visibility:visible;mso-wrap-style:square'>
2703 <v:imagedata src="SimpleMagnetic_files/image106.png" o:title=""/>
2704</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=184
2705src="SimpleMagnetic_files/image123.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
2706
2707<p class=MsoNormal>You can see in particular at the pair of peaks at 33.3 and
270834.4°2&#920; that are well fit by the <span class=SpellE>Pn’ma</span>’ model
2709and not by the <span class=SpellE>Pnma</span> one. On this basis the <span
2710class=SpellE>Pnma</span> model is rejected and the <span class=SpellE>Pn’ma</span>’
2711is selected as probably correct. NB: neither model produced any intensity for
2712the peak at ~15.69°2&#920;, so it is most likely to be from a minor
2713contaminating phase; we can either ignore it or exclude it in the final
2714refinements.</p>
2715
2716<h3>Step 8. Complete refinement of the <span class=SpellE>Pn’ma</span>’ model
2717for LaMnO<sub>3</sub></h3>
2718
2719<p class=MsoNormal>Reload the <b style='mso-bidi-font-weight:normal'><span
2720style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2721mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3
2722try1.gpx</span></b> project file which should have the <span class=SpellE>Pn’ma</span>’
2723model for the magnetic structure, and look at the powder pattern to decide how
2724to proceed to complete the refinement.</p>
2725
2726<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2727 id="Picture_x0020_38" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:359.25pt;
2728 height:312.75pt;visibility:visible;mso-wrap-style:square'>
2729 <v:imagedata src="SimpleMagnetic_files/image110.png" o:title=""/>
2730</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=417
2731src="SimpleMagnetic_files/image124.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
2732
2733<p class=MsoNormal>Looking at the plot, it would seem that the lattice
2734parameters and sample position need to be refined. It is important to remember
2735that if a parameter in one phase is varied then the corresponding one in the
2736other phase must also be varied, otherwise GSAS-II will report the error and
2737refuse to attempt the refinement. To set refinement of the lattice parameters,
2738bring up the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2739"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2740minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> tab for each
2741phase &amp; check the <b style='mso-bidi-font-weight:normal'><span
2742style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2743mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
2744cell</span></b> box for the lattice parameters. Then select <b
2745style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2746mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2747minor-latin'>Sample Parameters</span></b> for the PWDR entry</p>
2748
2749<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2750 id="Picture_x0020_39" o:spid="_x0000_i1061" type="#_x0000_t75" style='width:359.25pt;
2751 height:237.75pt;visibility:visible;mso-wrap-style:square'>
2752 <v:imagedata src="SimpleMagnetic_files/image114.png" o:title=""/>
2753</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=317
2754src="SimpleMagnetic_files/image125.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
2755
2756<p class=MsoNormal>Since the scan covers a very wide range in 2<span
2757style='font-family:Symbol'>Q</span>, both sample displacements can be refined.
2758Check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
2759"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2760minor-latin;mso-bidi-theme-font:minor-latin'>Sample X</span></b> and <b
2761style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2762mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2763minor-latin'>Y <span class=SpellE>displ</span></span></b> parameters. NB: if
2764the correct <b style='mso-bidi-font-weight:normal'><span style='font-family:
2765"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2766minor-latin;mso-bidi-theme-font:minor-latin'>Goniometer radius</span></b> (<b
2767style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2768mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2769minor-latin'>650</span></b>mm) is used, these displacements will be in microns.
2770Also, it would appear that the instrument parameters do not adequately describe
2771the anisotropic broadening of the lowest angle reflection so we will need to
2772include that. Select <b style='mso-bidi-font-weight:normal'><span
2773style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2774mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Instrument
2775Parameters</span></b> from the PWDR entry and check the <b style='mso-bidi-font-weight:
2776normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2777minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SH/L
2778Refine</span></b> box. Now do <b style='mso-bidi-font-weight:normal'><span
2779style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2780mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2781until convergence is achieved (i.e. <span class=SpellE>Rwp</span> doesn’t
2782change). This will be 2-3 times. When done my <span class=SpellE>Rwp</span> was
2783~6.6% with a nice clean plot</p>
2784
2785<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2786 id="Picture_x0020_40" o:spid="_x0000_i1060" type="#_x0000_t75" style='width:357.75pt;
2787 height:311.25pt;visibility:visible;mso-wrap-style:square'>
2788 <v:imagedata src="SimpleMagnetic_files/image072.png" o:title=""/>
2789</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=415
2790src="SimpleMagnetic_files/image131.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
2791
2792<p class=MsoNormal>Now we can add refinement of the atom positions and thermal
2793parameters. For <b style='mso-bidi-font-weight:normal'><span style='font-family:
2794"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2795minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab of the <b
2796style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2797mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2798minor-latin'>La <span class=SpellE>Mn</span> O3</span></b> phase, double click
2799the refine column heading and select <b style='mso-bidi-font-weight:normal'><span
2800style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2801mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>X</span></b>
2802&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2803mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2804minor-latin'>U.</span></b> This will add these parameters as allowed by
2805symmetry to the refinement. Now go to the <b style='mso-bidi-font-weight:normal'><span
2806style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2807mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2808tab for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2809mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2810minor-latin'>La <span class=SpellE>Mn</span> O3 mag</span></b> and double click
2811the refine tab. Select <b style='mso-bidi-font-weight:normal'><span
2812style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2813mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U</span></b>
2814&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2815mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2816minor-latin'>M</span></b>; the <span class=SpellE>Uiso</span> for the <span
2817class=SpellE>Mn</span> atom is tied via a constraint to the <span class=SpellE>Mn</span>
2818in the other phase. Now select <b style='mso-bidi-font-weight:normal'><span
2819style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2820mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
2821from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2822mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2823minor-latin'>PWDR</span></b> entry and increase the number of terms to <b
2824style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2825mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2826minor-latin'>6</span></b>. Finally do <b style='mso-bidi-font-weight:normal'><span
2827style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2828mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2829until convergence (1-2 times). My <span class=SpellE>Rwp</span> was 6.29% with
2830a plot that is hardly different from the previous one. If you press the ‘<b
2831style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2832mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2833minor-latin'></span></b> key with the focus on the plot, GSAS-II will show
2834the weighted difference curve below the plot</p>
2835
2836<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2837 id="Picture_x0020_41" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:5in;
2838 height:307.5pt;visibility:visible;mso-wrap-style:square'>
2839 <v:imagedata src="SimpleMagnetic_files/image121.png" o:title=""/>
2840</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=410
2841src="SimpleMagnetic_files/image132.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
2842
2843<p class=MsoNormal>This curve shows a couple of peaks which are from some contaminating
2844phase, but otherwise the fluctuations are mostly within 2<span
2845style='font-family:Symbol'>s</span> of zero. Finally examine the magnetic
2846moment components of the <span class=SpellE>Mn</span> atom; <span class=SpellE><b
2847style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2848mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2849minor-latin'>Mz</span></b></span> is close to zero. It is likely that it is
2850zero; set it to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2851"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2852minor-latin;mso-bidi-theme-font:minor-latin'>zero</span></b> and then go to the
2853<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2854mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2855minor-latin'>Constraints</span></b> tree item and add a hold for the <b
2856style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2857mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2858minor-latin'>1::AMz:0</span></b> parameter so that it stays at zero. Repeat the
2859refinement; the residual is unchanged showing that setting <span class=SpellE>Mz</span>=0
2860was a valid assumption.</p>
2861
2862<h3>Step 9. Draw the magnetic structure of LaMnO<sub>3</sub></h3>
2863
2864<p class=MsoNormal>To draw the magnetic structure select the <b
2865style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2866mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2867minor-latin'>Draw Atoms</span></b> tab for the magnetic phase. The table will
2868have a single line matching that of the Atoms table with a few extra columns.</p>
2869
2870<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2871 id="Picture_x0020_42" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:359.25pt;
2872 height:75pt;visibility:visible;mso-wrap-style:square'>
2873 <v:imagedata src="SimpleMagnetic_files/image111.png" o:title=""/>
2874</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=100
2875src="SimpleMagnetic_files/image133.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
2876
2877<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2878
2879<p class=MsoNormal>The plot will show one atom with magnetic moment. Select the
2880atom in the table and do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2881style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2882mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
2883style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2884mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2885minor-latin'> Figure/Fill unit cell</span></b>. The table will show additional
2886entries</p>
2887
2888<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2889 id="Picture_x0020_44" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:5in;
2890 height:2in;visibility:visible;mso-wrap-style:square'>
2891 <v:imagedata src="SimpleMagnetic_files/image119.png" o:title=""/>
2892</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=192
2893src="SimpleMagnetic_files/image135.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
2894
2895<p class=MsoNormal>The plot will show the unit cell contents of <span
2896class=SpellE>Mn</span> atoms each with its magnetic moment; they are arranged
2897in layers along the b-axis with the <span class=GramE>moments</span>
2898antiparallel from one layer to the next. Some are red indicating that a spin
2899inversion operation was applied for that atom moment.</p>
2900
2901<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2902 id="Picture_x0020_45" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:360.75pt;
2903 height:303.75pt;visibility:visible;mso-wrap-style:square'>
2904 <v:imagedata src="SimpleMagnetic_files/image126.png" o:title=""/>
2905</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=405
2906src="SimpleMagnetic_files/image137.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
2907
2908<p class=MsoNormal>This completes this tutorial; you can save the project if
2909you wish &amp; close GSAS-II.</p>
2910
2911<h2>Simple Ferromagnet: La<sub>0.7</sub>Ca<sub>0.3</sub>MnO<sub>3.</sub></h2>
2912
2913<p class=MsoNormal>The magnetic structure of LaMnO<sub>3</sub> can be
2914profoundly changed by addition of Ca in place of some of the La; in this case
2915ferromagnetic ordering apparently was obtained. This tutorial will investigate
2916that from neutron powder data collected at 50K on the same instrument as the
2917first exercise (BT1 at NIST; thanks to Qingzhen Huang for providing the data).
2918Start GSAS-II if you have not done so already.</p>
2919
2920<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2921
2922<h3>Step 1: Read in the data file</h3>
2923
2924<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
2925text-indent:-.25in;mso-list:l2 level1 lfo10'><![if !supportLists]><span
2926style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2927style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
2928the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2929mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2930minor-latin'>Import/Powder Data/from GSAS powder data file</span></b> menu item
2931to read the data file into the current GSAS-II project. This read option is set
2932to read any of the powder data formats defined for GSAS (angles in <span
2933class=SpellE>centidegrees</span>, TOF in µsec). Other submenu items will read
2934the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2935style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2936mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
2937format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2938style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2939mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
2940format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
2941style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
2942Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
2943normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2944minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
2945mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
2946style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
2947menu entry to open this page and downloaded the exercise files (recommended),
2948then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2949style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2950mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
2951minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
2952normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2953minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
2954mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
2955Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
2956location where the files have been downloaded. (It is also possible to download
2957them manually from <a
2958href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
2959In this case you will need to navigate to the download location manually.)<br>
2960For this tutorial you should see the data file in the file browser, but if
2961extensions on data files are not the expected ones, you may need to change the
2962file type to <b style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find
2963the desired file.</span></p>
2964
2965<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2966auto;text-indent:-.25in;mso-list:l2 level1 lfo10'><![if !supportLists]><span
2967style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2968style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
2969the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2970mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2971minor-latin'>La7Ca3MnO3_50K.gsas</span></b><span style='font-family:"Calibri",sans-serif;
2972mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2973minor-latin'> data</span> file in the first dialog and press <b
2974style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2975mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2976minor-latin'>Open</span></b>. There will be a Dialog box asking <span
2977class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2978"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2979minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
2980style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2981mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2982minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
2983style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2984mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2985minor-latin'>Yes</span></b></span> button to proceed.</p>
2986
2987<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
2988text-indent:-.25in;mso-list:l2 level1 lfo10'><![if !supportLists]><span
2989style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2990style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
2991this data file does not define an instrument parameter file, a file dialog will
2992appear for you to select the correct instrument parameter file. Select <b
2993style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2994mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2995minor-latin'>BT1_Cu300.inst</span></b>; you may have to change the file type in
2996the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
2997style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2998mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
2999class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
3000style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3001mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3002minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
3003
3004<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3005 id="Picture_x0020_27" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:195.75pt;
3006 height:207pt;visibility:visible;mso-wrap-style:square'>
3007 <v:imagedata src="SimpleMagnetic_files/image067.png" o:title=""/>
3008</v:shape><![endif]--><![if !vml]><img border=0 width=261 height=276
3009src="SimpleMagnetic_files/image139.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
3010
3011<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
3012plot window will show the powder pattern</p>
3013
3014<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3015 id="Picture_x0020_28" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:341.25pt;
3016 height:311.25pt;visibility:visible;mso-wrap-style:square'>
3017 <v:imagedata src="SimpleMagnetic_files/image069.png" o:title=""/>
3018</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=415
3019src="SimpleMagnetic_files/image161.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
3020
3021<h3>Step 2: Select Limits </h3>
3022
3023<p class=MsoNormal><span style='mso-spacerun:yes'> </span>This pattern has more
3024data than we need, so it is helpful to cut down the range. Click on the <b
3025style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3026mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3027minor-latin'>Limits</span></b> item in the <b style='mso-bidi-font-weight:normal'><span
3028style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3029mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. Use the <b
3030style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3031mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3032minor-latin'>New:</span></b> row of entry boxes to set <span class=SpellE><b
3033style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3034mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3035minor-latin'>Tmin</span></b></span> and <span class=SpellE><b style='mso-bidi-font-weight:
3036normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3037minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b></span>
3038to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3039mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>18</span></b>
3040and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3041mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3042minor-latin'>157.5</span></b>. Notice on the plot that the limit lines have
3043moved to these positions; the green lower limit is just below the small 1<sup>st</sup>
3044peak (at ~20°2&#920;) and the red upper limit is just below that last broad
3045hump. You may also drag the limit lines to the desired location or place them
3046by a left mouse click on a data point for the lower limit or a right click on a
3047data point for the upper limit.</p>
3048
3049<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3050 id="Picture_x0020_29" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:358.5pt;
3051 height:327pt;visibility:visible;mso-wrap-style:square'>
3052 <v:imagedata src="SimpleMagnetic_files/image071.png" o:title=""/>
3053</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=436
3054src="SimpleMagnetic_files/image162.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
3055
3056<h3><a name="sucrose_peak_fit"></a>Step 3: Read in the chemical structure for
3057La<sub>0.7</sub>Ca<sub>0.3</sub>MnO<sub>3</sub></h3>
3058
3059<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
3060text-indent:-.25in;mso-list:l4 level1 lfo12'><![if !supportLists]><span
3061style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3062style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
3063the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3064mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3065minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
3066information for LaMnO<sub>3</sub> into the current GSAS-II project. This read
3067option is set to read Crystallographic Information Files (CIF). Other submenu
3068items will read phase information in other formats.<span
3069style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
3070Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
3071normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3072minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
3073mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
3074style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
3075menu entry to open this page and downloaded the exercise files (recommended),
3076then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
3077style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3078mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
3079minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
3080normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3081minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
3082mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
3083Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
3084location where the files have been downloaded. (It is also possible to download
3085them manually from <a
3086href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SimpleMagnetic/data/</a>.
3087In this case you will need to navigate to the download location manually.)</span></p>
3088
3089<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
3090text-indent:-.25in;mso-list:l4 level1 lfo12'><![if !supportLists]><span
3091style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3092style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3093the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3094mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3095minor-latin'>LaCaMnO3.cif</span></b><span style='font-family:"Calibri",sans-serif;
3096mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3097minor-latin'> data</span> file in the first dialog and press <b
3098style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3099mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3100minor-latin'>Open</span></b>. There will be a Dialog box asking <span
3101class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
3102"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3103minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
3104style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3105mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3106minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
3107style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3108mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3109minor-latin'>Yes</span></b></span> button to proceed. You will get the
3110opportunity to change the phase name next; press <b style='mso-bidi-font-weight:
3111normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3112minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
3113to continue.</p>
3114
3115<p class=MsoNormal style='margin-left:.25in'>Next is the histogram selection
3116window; this connects the phase to the data so it can be used in subsequent</p>
3117
3118<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3119 id="Picture_x0020_46" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:210pt;
3120 height:168pt;visibility:visible;mso-wrap-style:square'>
3121 <v:imagedata src="SimpleMagnetic_files/image134.png" o:title=""/>
3122</v:shape><![endif]--><![if !vml]><img border=0 width=280 height=224
3123src="SimpleMagnetic_files/image163.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
3124
3125<p class=MsoNormal style='margin-left:.25in'>Select the histogram (or press <b
3126style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3127mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3128minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
3129style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3130mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
3131The General tab for the phase is shown next<br>
3132<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_47"
3133 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:342pt;height:174pt;
3134 visibility:visible;mso-wrap-style:square'>
3135 <v:imagedata src="SimpleMagnetic_files/image136.png" o:title=""/>
3136</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=232
3137src="SimpleMagnetic_files/image164.png" v:shapes="Picture_x0020_47"><![endif]></span></p>
3138
3139<p class=MsoNormal style='margin-left:.25in'>Notice that the space group from
3140the <span class=SpellE>cif</span> file is <span class=SpellE>Pbnm</span>; this
3141is a nonstandard setting of <span class=SpellE>Pnma</span>. GSAS-II can treat
3142this case just as well as the standard setting so we can proceed without any
3143concern.</p>
3144
3145<h3>Step 4. Check powder pattern indexing</h3>
3146
3147<p class=MsoNormal>Here the objective is to determine how the reflection
3148positions generated from the chemical (“nuclear”) crystal structure lattice
3149match up with the peaks observed for this antiferromagnet. </p>
3150
3151<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
3152style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3153mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Unit Cells
3154List</span></b> from the tree entries under the histogram (begins with PWDR);
3155the Indexing controls will be shown<br>
3156<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_48"
3157 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:359.25pt;height:127.5pt;
3158 visibility:visible;mso-wrap-style:square'>
3159 <v:imagedata src="SimpleMagnetic_files/image138.png" o:title=""/>
3160</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=170
3161src="SimpleMagnetic_files/image165.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
3162
3163<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>This
3164can be use lattice parameters &amp; space groups to generate expected
3165reflection positions to check against the peaks in the powder pattern. Do <b
3166style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3167mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3168minor-latin'>Cell Index/Refine/Load Cell</span></b> from the menu; a Phase
3169selection box will appear with only one choice. This was taken from the Phases
3170present in this project; there could be more than one depending on what you
3171loaded/created earlier. The <b style='mso-bidi-font-weight:normal'><span
3172style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3173mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
3174menu item allows you to get lattice information from any one of the other phase
3175containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
3176style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3177mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
3178and the Indexing controls will be change</p>
3179
3180<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'><span
3181style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84"
3182 o:spid="_x0000_i1049" type="#_x0000_t75" style='width:363.75pt;height:117.75pt;
3183 visibility:visible;mso-wrap-style:square'>
3184 <v:imagedata src="SimpleMagnetic_files/image166.png" o:title=""/>
3185</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=157
3186src="SimpleMagnetic_files/image167.png" v:shapes="Picture_x0020_84"><![endif]></span><br
3187style='mso-special-character:line-break'>
3188<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3189<![endif]></p>
3190
3191<p class=MsoNormal><span class=GramE>showing</span> the lattice constants and
3192space group (P b n m) for LaCaMnO<sub>3</sub> you had obtained from the <span
3193class=SpellE>cif</span> file. </p>
3194
3195<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>Change
3196the space group to <b style='mso-bidi-font-weight:normal'><span
3197style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3198mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m <span
3199class=SpellE>m</span> <span class=SpellE>m</span></span></b>; after a short
3200pause (while reflections are generated), the plot will show the calculated
3201reflection line positions. Zoom in on the lowest part of the pattern to see
3202details of the indexing<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
3203 id="Picture_x0020_50" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:5in;
3204 height:253.5pt;visibility:visible;mso-wrap-style:square'>
3205 <v:imagedata src="SimpleMagnetic_files/image145.png" o:title=""/>
3206</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=338
3207src="SimpleMagnetic_files/image168.png" v:shapes="Picture_x0020_50"><![endif]></span></p>
3208
3209<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Note
3210that almost every observed peak is indexed; even the two weak peaks that are on
3211either side of the 1<sup>st</sup> strong peak. More about those later. There is
3212also a few seemingly misplaced unindexed lines (at 37.4, 53.9 &amp;
321367.4°2&#920;); probably some contaminating minor phase. We’ll have to ignore
3214them. Change the space group back to <b style='mso-bidi-font-weight:normal'><span
3215style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3216mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P b n m</span></b>;
3217the indexing will change.</p>
3218
3219<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3220 id="Picture_x0020_51" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:359.25pt;
3221 height:252.75pt;visibility:visible;mso-wrap-style:square'>
3222 <v:imagedata src="SimpleMagnetic_files/image147.png" o:title=""/>
3223</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=337
3224src="SimpleMagnetic_files/image169.png" v:shapes="Picture_x0020_51"><![endif]></span><br>
3225Then check the box <b style='mso-bidi-font-weight:normal'><span
3226style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3227mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Magnetic<span
3228class=GramE>?<span style='font-family:"Times New Roman",serif;font-weight:normal'>;</span></span></span></b>
3229the tab will be changed showing some more options</p>
3230
3231<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'><span
3232style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52"
3233 o:spid="_x0000_i1046" type="#_x0000_t75" style='width:358.5pt;height:114.75pt;
3234 visibility:visible;mso-wrap-style:square'>
3235 <v:imagedata src="SimpleMagnetic_files/image149.png" o:title=""/>
3236</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=153
3237src="SimpleMagnetic_files/image177.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
3238
3239<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Because
3240the sample is ferromagnetic, all the magnetic scattering could be expected to
3241coincide with the scattering from the chemical cell. There are no extra
3242reflections; making it difficult to discern which spin configuration is
3243appropriate without knowing the scattering from the chemical cell. Changing the
3244spins will cause the lowest index lines to be extinct (as antiferromagnetic
3245selections are made); these can be seen by moving the lower limit to below
324610°2&#920;. The problem is that they may have no intensity because of the
3247moment directions, e.g. if only <span class=SpellE>M<sub>x</sub></span> &#8800;
32480, then all F<sub>h00</sub> (parallel to the moment) will be zero even if
3249allowed by the magnetic symmetry. Thus, we will have to defer this testing
3250until after we have a computed pattern from the chemical cell and can compute
3251some trial patterns from the magnetic cell.</p>
3252
3253<h3>Step 5. Make the magnetic phase</h3>
3254
3255<p class=MsoNormal>In the previous step we did not have to resort to any
3256doubling of a cell axis to explain the suite of magnetic reflections, so the
3257propagation vector is zero. To make the magnetic cell from the chemical cell we
3258will use the transform tool that is in GSAS-II in the General tab for the
3259chemical structure. That tab is</p>
3260
3261<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
3262style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53"
3263 o:spid="_x0000_i1045" type="#_x0000_t75" style='width:359.25pt;height:158.25pt;
3264 visibility:visible;mso-wrap-style:square'>
3265 <v:imagedata src="SimpleMagnetic_files/image151.png" o:title=""/>
3266</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=211
3267src="SimpleMagnetic_files/image181.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
3268
3269<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
3270style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3271mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute</span></b>
3272menu item do <b style='mso-bidi-font-weight:normal'><span style='font-family:
3273"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3274minor-latin;mso-bidi-theme-font:minor-latin'>Transform</span></b>; a new popup
3275dialog box will appear with stuff needed to effect a cell transformation.</p>
3276
3277<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
3278style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_85"
3279 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:274.5pt;height:315pt;
3280 visibility:visible;mso-wrap-style:square'>
3281 <v:imagedata src="SimpleMagnetic_files/image183.png" o:title=""/>
3282</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=420
3283src="SimpleMagnetic_files/image183.png" v:shapes="Picture_x0020_85"><![endif]></span></p>
3284
3285<p class=MsoNormal>The order of operations for the transformation is given at
3286the top of the window; this was described in the 1<sup>st</sup> part of this
3287tutorial. We do want the new phase to be magnetic so press the <b
3288style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3289mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3290minor-latin'>Make new phase magnetic</span></b> button; the dialog will be
3291redrawn</p>
3292
3293<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
3294style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_86"
3295 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:296.25pt;height:348pt;
3296 visibility:visible;mso-wrap-style:square'>
3297 <v:imagedata src="SimpleMagnetic_files/image185.png" o:title=""/>
3298</v:shape><![endif]--><![if !vml]><img border=0 width=395 height=464
3299src="SimpleMagnetic_files/image185.png" v:shapes="Picture_x0020_86"><![endif]></span></p>
3300
3301<p class=MsoNormal>This allows one to select possible magnetic lattice
3302centering operations as given by the BNS nomenclature and the spin inversions
3303mx, my &amp; <span class=SpellE>mz</span> (we will do these later). This can be
3304needed if one had discovered a requirement of doubling a cell axis in the
3305previous step (e.g. a nonzero propagation vector). This is not required in this
3306case and we are using the same nonstandard space group (P b n m) for the
3307magnetic cell that is used for the chemical cell. Leave the box at the bottom
3308about constraints checked as we want them to tie the two phases together.<span
3309style='mso-spacerun:yes'>  </span>Press <b style='mso-bidi-font-weight:normal'><span
3310style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3311mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
3312to continue; a new popup will appear</p>
3313
3314<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
3315style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_87"
3316 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:255.75pt;height:92.25pt;
3317 visibility:visible;mso-wrap-style:square'>
3318 <v:imagedata src="SimpleMagnetic_files/image187.png" o:title=""/>
3319</v:shape><![endif]--><![if !vml]><img border=0 width=341 height=123
3320src="SimpleMagnetic_files/image187.png" v:shapes="Picture_x0020_87"><![endif]></span></p>
3321
3322<p class=MsoNormal>This allows one to reject certain atoms that are known to
3323not be magnetic; press <b style='mso-bidi-font-weight:normal'><span
3324style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3325mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>
3326to continue. A new phase will be created and the General tab for it will be
3327shown.</p>
3328
3329<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'><span
3330style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_57"
3331 o:spid="_x0000_i1041" type="#_x0000_t75" style='width:358.5pt;height:210.75pt;
3332 visibility:visible;mso-wrap-style:square'>
3333 <v:imagedata src="SimpleMagnetic_files/image159.png" o:title=""/>
3334</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=281
3335src="SimpleMagnetic_files/image189.png" v:shapes="Picture_x0020_57"><![endif]></span></p>
3336
3337<p class=MsoNormal>The phase is named with “mag” appended to the end, the phase
3338type is magnetic and there are magnetic spin operator selections part way down
3339the page; they are all “black”. You also can see the <span class=SpellE>Lande</span>’
3340g factor can be changed if needed and the phase only contains the <span
3341class=SpellE>Mn</span> atom. As before the appropriate constraints have been
3342built linking the two phases together. Look at Constraints if you wish to see
3343them.</p>
3344
3345<h3>Step 6. Select spin configuration</h3>
3346
3347<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>Select
3348the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3349mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3350minor-latin'>Atoms</span></b> tab, the parameters for <span class=SpellE>Mn</span>
3351are shown</p>
3352
3353<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
3354style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_58"
3355 o:spid="_x0000_i1040" type="#_x0000_t75" style='width:362.25pt;height:83.25pt;
3356 visibility:visible;mso-wrap-style:square'>
3357 <v:imagedata src="SimpleMagnetic_files/image170.png" o:title=""/>
3358</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=111
3359src="SimpleMagnetic_files/image191.png" v:shapes="Picture_x0020_58"><![endif]></span></p>
3360
3361<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>Notice
3362that <span class=SpellE>Mx</span>, My &amp; <span class=SpellE>Mz</span> are
3363shown with 0.0 for each and the site symmetry is “-1”; an inversion with no
3364spin flip allows the site to have a magnetic moment. So the all “black”
3365configuration is possible on the basis of the <span class=SpellE>Mn</span> site
3366symmetry. If you make one of the spin operators “<b style='mso-bidi-font-weight:
3367normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3368minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
3369(say <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3370mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3371minor-latin'>mx</span></b>) and then press <b style='mso-bidi-font-weight:normal'><span
3372style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3373mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Show spins<span
3374class=GramE>?<span style='font-family:"Times New Roman",serif;font-weight:normal'>,</span></span></span></b>
3375the popup will show a red <span style='color:red'>(-1)</span> symbol indicating
3376that the inversion operation (#5) also has a spin inversion. This spin
3377arrangement wouldn’t allow the <span class=SpellE>Mn</span> to have a moment so
3378it must be rejected.</p>
3379
3380<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
3381style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3382 id="Picture_x0020_60" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:240pt;
3383 height:199.5pt;visibility:visible;mso-wrap-style:square'>
3384 <v:imagedata src="SimpleMagnetic_files/image172.png" o:title=""/>
3385</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=266
3386src="SimpleMagnetic_files/image193.png" v:shapes="Picture_x0020_60"><![endif]></span></p>
3387
3388<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'>The
3389<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3390mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3391minor-latin'>Atoms</span></b> tab would show <span class=SpellE>Mx</span>, My
3392&amp; <span class=SpellE>Mz</span> as gray indicating that they cannot have a
3393nonzero value.</p>
3394
3395<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
3396style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_61"
3397 o:spid="_x0000_i1038" type="#_x0000_t75" style='width:358.5pt;height:75pt;
3398 visibility:visible;mso-wrap-style:square'>
3399 <v:imagedata src="SimpleMagnetic_files/image174.png" o:title=""/>
3400</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=100
3401src="SimpleMagnetic_files/image194.png" v:shapes="Picture_x0020_61"><![endif]></span></p>
3402
3403<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>If
3404you try other spin configurations this way, you will quickly see that an odd
3405number of spin flips will yield for <span class=SpellE>Pbnm</span> inversions
3406centers with spin flips and all must be rejected on that basis leaving only
3407configurations with an even number of spin flips (e.g. “<span class=SpellE>bbb</span>”,
3408“<span class=SpellE>rrb</span>”, “<span class=SpellE>rbr</span>” and “<span
3409class=SpellE>brr</span>”) for which the inversion center does not have a spin
3410flip and thus can carry a magnetic moment. We will have to test each in turn,
3411moreover the moment direction also needs to be established (e.g. values of <span
3412class=SpellE>Mx</span>, My &amp; <span class=SpellE>Mz</span>).</p>
3413
3414<h3>Step 7. Solving the magnetic structure - Trial and Error</h3>
3415
3416<p class=MsoListParagraphCxSpFirst style='margin-left:0in;mso-add-space:auto'>Because
3417of the equivalence of ± <span class=SpellE>Mx</span>, ± <span class=GramE>My</span>
3418and ± <span class=SpellE>Mz</span>, the least squares will show singular matrix
3419behavior if any are started at zero. So we must begin any test refinement with
3420nonzero moment components. We may discover later that some moment component is
3421nearly zero; it can then be set to zero and a hold placed on that value to
3422avoid the singularity. We will need to test each spin configuration in turn
3423&amp; then compare them to find the best one. To proceed select the <span
3424class=SpellE>the</span> magnetic phase and set the spins to “<span
3425class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
3426"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3427minor-latin;mso-bidi-theme-font:minor-latin'>bbb</span></b></span>” (i.e. all “<b
3428style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3429mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3430minor-latin'>black</span></b>”). Then select the <b style='mso-bidi-font-weight:
3431normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3432minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
3433tab and enter <b style='mso-bidi-font-weight:normal'><span style='font-family:
3434"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3435minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b> for each of <span
3436class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
3437"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3438minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span>, <b
3439style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3440mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3441minor-latin'>My</span></b> &amp; <span class=SpellE><b style='mso-bidi-font-weight:
3442normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3443minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span>;
3444this provides a suitable starting point. The default refinement is just scale
3445factor &amp; background; do <b style='mso-bidi-font-weight:normal'><span
3446style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3447mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
3448It will quickly converge to <span class=SpellE>Rwp</span> ~15.5% and the plot
3449will look like</p>
3450
3451<p class=MsoListParagraphCxSpMiddle style='margin-left:0in;mso-add-space:auto'><span
3452style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_64"
3453 o:spid="_x0000_i1037" type="#_x0000_t75" style='width:360.75pt;height:254.25pt;
3454 visibility:visible;mso-wrap-style:square'>
3455 <v:imagedata src="SimpleMagnetic_files/image176.png" o:title=""/>
3456</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=339
3457src="SimpleMagnetic_files/image195.png" v:shapes="Picture_x0020_64"><![endif]></span></p>
3458
3459<p class=MsoListParagraphCxSpLast style='margin-left:0in;mso-add-space:auto'>Clearly
3460there is intensity mismatches at low angles because the magnetic structure is
3461incorrect, but there is also misfits due to peak position errors. We can refine
3462lattice parameters and sample position to address this. Select each phase in
3463turn and select <b style='mso-bidi-font-weight:normal'><span style='font-family:
3464"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3465minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit cell</span></b> on the
3466<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3467mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3468minor-latin'>General</span></b> tab for each; the constraints connecting them
3469were built earlier by the Transform operation in GSAS-II. Next select <b
3470style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3471mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3472minor-latin'>Sample Parameters</span></b> under the <b style='mso-bidi-font-weight:
3473normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3474minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PWDR</span></b>
3475entry and select <b style='mso-bidi-font-weight:normal'><span style='font-family:
3476"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3477minor-latin;mso-bidi-theme-font:minor-latin'>Sample X <span class=SpellE>displ</span></span></b>
3478and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3479mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3480minor-latin'>Sample Y <span class=SpellE>displ</span></span></b> for
3481refinement; change <b style='mso-bidi-font-weight:normal'><span
3482style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3483mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Goniometer
3484radius</span></b> to <b style='mso-bidi-font-weight:normal'><span
3485style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3486mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>650</span></b>
3487so the result is in microns. Now do <b style='mso-bidi-font-weight:normal'><span
3488style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3489mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3490again; <span class=SpellE>Rwp</span> will drop slightly (mine was ~13.6%). <b
3491style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3492mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3493minor-latin'>Save</span></b> the project, and do a <b style='mso-bidi-font-weight:
3494normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3495minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save
3496Project as<span class=GramE>..</span></span></b> <span class=GramE>and</span>
3497name it <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3498mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3499minor-latin'>LaCaMnO3 <span class=SpellE>bbb.gpx</span></span></b> (the <span
3500class=SpellE>gpx</span> is assumed &amp; the ‘<span class=SpellE>bbb</span>’
3501refers to the <span class=SpellE>all black</span> configuration which we will
3502test next. The saved LaCaMnO3.gpx will then be our starting point for testing
3503the spin configurations.</p>
3504
3505<h4 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo14'><![if !supportLists]><span
3506style='mso-fareast-font-family:"Calibri Light";mso-fareast-theme-font:major-latin;
3507mso-bidi-font-family:"Calibri Light";mso-bidi-theme-font:major-latin'><span
3508style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;
3509</span></span></span><![endif]>Test the <span class=SpellE>bbb</span>
3510configuration – <span class=SpellE>Pbnm</span></h4>
3511
3512<p class=MsoNormal>To test the magnetic configuration, we need to refine the
3513magnetic moment components to obtain the optimal values for the spin
3514configuration and thus the best fit. Select the magnetic phase and go to the <b
3515style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3516mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3517minor-latin'>Atoms</span></b> tab. Then double click the refine column heading
3518and select ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:
3519"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3520minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’ from the popup
3521dialog. It should look like</p>
3522
3523<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3524 id="Picture_x0020_63" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363.75pt;
3525 height:69pt;visibility:visible;mso-wrap-style:square'>
3526 <v:imagedata src="SimpleMagnetic_files/image178.png" o:title=""/>
3527</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=92
3528src="SimpleMagnetic_files/image196.png" v:shapes="Picture_x0020_63"><![endif]></span></p>
3529
3530<p class=MsoNormal>Then do <b style='mso-bidi-font-weight:normal'><span
3531style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3532mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3533from the main menu, it converges quickly (<span class=SpellE>Rwp</span> ~11.8%)
3534and still a poor fit for the low angle reflections</p>
3535
3536<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3537 id="Picture_x0020_65" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:5in;
3538 height:254.25pt;visibility:visible;mso-wrap-style:square'>
3539 <v:imagedata src="SimpleMagnetic_files/image180.png" o:title=""/>
3540</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=339
3541src="SimpleMagnetic_files/image197.png" v:shapes="Picture_x0020_65"><![endif]></span></p>
3542
3543<p class=MsoNormal><span class=GramE>and</span> the magnetic moment components
3544are</p>
3545
3546<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3547 id="Picture_x0020_66" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:5in;
3548 height:70.5pt;visibility:visible;mso-wrap-style:square'>
3549 <v:imagedata src="SimpleMagnetic_files/image182.png" o:title=""/>
3550</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=94
3551src="SimpleMagnetic_files/image198.png" v:shapes="Picture_x0020_66"><![endif]></span></p>
3552
3553<p class=MsoNormal>So we test the next possibility.</p>
3554
3555<h4 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo14'><![if !supportLists]><span
3556style='mso-fareast-font-family:"Calibri Light";mso-fareast-theme-font:major-latin;
3557mso-bidi-font-family:"Calibri Light";mso-bidi-theme-font:major-latin'><span
3558style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;
3559</span></span></span><![endif]>Test the <span class=SpellE><span class=GramE>rrb</span></span>
3560configuration – <span class=SpellE>Pb’n’m</span></h4>
3561
3562<p class=MsoNormal>Since we want to be able to compare results, start a new
3563GSAS-II and open the <b style='mso-bidi-font-weight:normal'><span
3564style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3565mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaCaMnO3.gpx</span></b>
3566project. Immediately do a <b style='mso-bidi-font-weight:normal'><span
3567style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3568mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save Project
3569as…</span></b> and name it <b style='mso-bidi-font-weight:normal'><span
3570style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3571mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaCaMnO3 <span
3572class=SpellE>rrb.gpx</span></span></b> (this step might easily be forgotten and
3573then your reference starting structure will be lost!). Then select the magnetic
3574phase and the General tab is displayed. Set the spin configuration to “<b
3575style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3576mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3577minor-latin'>red</span></b>”, “<b style='mso-bidi-font-weight:normal'><span
3578style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3579mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
3580<span class=GramE>&amp; ”</span><b style='mso-bidi-font-weight:normal'><span
3581style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3582mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>black</span></b>”.
3583Then go to the <b style='mso-bidi-font-weight:normal'><span style='font-family:
3584"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3585minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab and set the <b
3586style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3587mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3588minor-latin'>refine</span></b> flag to ‘<b style='mso-bidi-font-weight:normal'><span
3589style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3590mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’;
3591then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3592mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3593minor-latin'>Calculate/Refine</span></b>. The residual will immediately drop to
3594<span class=SpellE>Rwp</span> ~8.0% which is much better than the “<span
3595class=SpellE>bbb</span>” spin configuration and the plot gives a far better fit
3596to the low angle peaks</p>
3597
3598<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3599 id="Picture_x0020_67" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:359.25pt;
3600 height:252pt;visibility:visible;mso-wrap-style:square'>
3601 <v:imagedata src="SimpleMagnetic_files/image184.png" o:title=""/>
3602</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=336
3603src="SimpleMagnetic_files/image199.png" v:shapes="Picture_x0020_67"><![endif]></span></p>
3604
3605<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
3606style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3607mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
3608tab shows a very strong <span class=SpellE>Mz</span> component <span
3609class=SpellE><span class=GramE>ot</span></span> the magnetic moment on <span
3610class=SpellE>Mn</span> with the other two components near zero.</p>
3611
3612<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3613 id="Picture_x0020_68" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:5in;
3614 height:67.5pt;visibility:visible;mso-wrap-style:square'>
3615 <v:imagedata src="SimpleMagnetic_files/image186.png" o:title=""/>
3616</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=90
3617src="SimpleMagnetic_files/image200.png" v:shapes="Picture_x0020_68"><![endif]></span></p>
3618
3619<p class=MsoNormal>Let’s test the next one.</p>
3620
3621<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l4 level1 lfo12'><![if !supportLists]><span
3622style='mso-fareast-font-family:"Calibri Light";mso-fareast-theme-font:major-latin;
3623mso-bidi-font-family:"Calibri Light";mso-bidi-theme-font:major-latin'><span
3624style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;
3625</span></span></span><![endif]>Test the <span class=SpellE>rbr</span>
3626configuration – <span class=SpellE>Pb’nm</span>’</h4>
3627
3628<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3629
3630<p class=MsoNormal>Again start a new GSAS-II with the reference project <b
3631style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3632mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3633minor-latin'>LaCaMnO3.gpx</span></b> and immediately <b style='mso-bidi-font-weight:
3634normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3635minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save
3636project as<span class=GramE>..</span></span></b> <span class=GramE>with</span>
3637the name <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3638mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3639minor-latin'>LaCaMnO3 <span class=SpellE>rbr.gpx</span></span></b>. Then select
3640the magnetic phase and the General tab is displayed. Set the spin configuration
3641to “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3642mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3643minor-latin'>red</span></b>”, “<b style='mso-bidi-font-weight:normal'><span
3644style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3645mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>black</span></b>”
3646<span class=GramE>&amp; ”</span><b style='mso-bidi-font-weight:normal'><span
3647style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3648mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”.
3649Then go to the <b style='mso-bidi-font-weight:normal'><span style='font-family:
3650"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3651minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab and set the <b
3652style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3653mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3654minor-latin'>refine</span></b> flag to ‘<b style='mso-bidi-font-weight:normal'><span
3655style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3656mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’;
3657then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3658mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3659minor-latin'>Calculate/Refine</span></b>. The residual will be just a bit
3660poorer (<span class=SpellE>Rwp</span> ~8.2%) than the “<span class=SpellE>rrb</span>”
3661model. The plot is very similar</p>
3662
3663<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3664 id="Picture_x0020_69" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:360.75pt;
3665 height:252.75pt;visibility:visible;mso-wrap-style:square'>
3666 <v:imagedata src="SimpleMagnetic_files/image188.png" o:title=""/>
3667</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=337
3668src="SimpleMagnetic_files/image201.png" v:shapes="Picture_x0020_69"><![endif]></span></p>
3669
3670<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
3671style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3672mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
3673display shows a strong <span class=GramE>My</span> moment component with <span
3674class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span> small</p>
3675
3676<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3677 id="Picture_x0020_70" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:360.75pt;
3678 height:1in;visibility:visible;mso-wrap-style:square'>
3679 <v:imagedata src="SimpleMagnetic_files/image190.png" o:title=""/>
3680</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=96
3681src="SimpleMagnetic_files/image202.png" v:shapes="Picture_x0020_70"><![endif]></span></p>
3682
3683<p class=MsoNormal>We should now check the last spin configuration.</p>
3684
3685<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l4 level1 lfo12'><![if !supportLists]><span
3686style='mso-fareast-font-family:"Calibri Light";mso-fareast-theme-font:major-latin;
3687mso-bidi-font-family:"Calibri Light";mso-bidi-theme-font:major-latin'><span
3688style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;
3689</span></span></span><![endif]>Test the <span class=SpellE>brr</span>
3690configuration – <span class=SpellE>Pbn’m</span>’</h4>
3691
3692<p class=MsoNormal>As before, start a new GSAS-II with the reference project <b
3693style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3694mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3695minor-latin'>LaCaMnO3.gpx</span></b> and immediately <b style='mso-bidi-font-weight:
3696normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3697minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save
3698project as<span class=GramE>..</span></span></b> <span class=GramE>with</span>
3699the name <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3700mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3701minor-latin'>LaCaMnO3 <span class=SpellE>brr.gpx</span></span></b>. Then select
3702the magnetic phase and the General tab is displayed. Set the spin configuration
3703to “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3704mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3705minor-latin'>black</span></b>”, “<b style='mso-bidi-font-weight:normal'><span
3706style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3707mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”
3708<span class=GramE>&amp; ”</span><b style='mso-bidi-font-weight:normal'><span
3709style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3710mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>red</span></b>”.
3711Then go to the <b style='mso-bidi-font-weight:normal'><span style='font-family:
3712"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3713minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab and set the <b
3714style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3715mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3716minor-latin'>refine</span></b> flag to ‘<b style='mso-bidi-font-weight:normal'><span
3717style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3718mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’;
3719then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3720mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3721minor-latin'>Calculate/Refine</span></b>. The residual virtually the same as
3722the “<span class=SpellE>rrb</span>” model (Rwp~8.0%) but better than the “<span
3723class=SpellE>rbr</span>” one. The plot is very similar</p>
3724
3725<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3726 id="Picture_x0020_71" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:359.25pt;
3727 height:251.25pt;visibility:visible;mso-wrap-style:square'>
3728 <v:imagedata src="SimpleMagnetic_files/image192.png" o:title=""/>
3729</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=335
3730src="SimpleMagnetic_files/image203.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
3731
3732<p class=MsoNormal><span class=GramE>and</span> with the strong <span
3733class=SpellE>Mx</span> moment component with My &amp; <span class=SpellE>Mz</span>
3734small.</p>
3735
3736<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3737 id="Picture_x0020_72" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:359.25pt;
3738 height:60.75pt;visibility:visible;mso-wrap-style:square'>
3739 <v:imagedata src="SimpleMagnetic_files/image206.png" o:title=""/>
3740</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=81
3741src="SimpleMagnetic_files/image204.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
3742
3743<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3744
3745<p class=MsoNormal>Clearly the “<span class=SpellE>bbb</span>” configuration is
3746not correct, but which one of the other three is difficult to choose at
3747present. Let’s complete the refinement on each one and see where that leads.
3748All that is required is to add the remaining atom parameters (<b
3749style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3750mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3751minor-latin'>X</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
3752style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3753mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U</span></b>).
3754For each of the “<span class=SpellE>rrb</span>”, “<span class=SpellE>rbr</span>”
3755and “<span class=SpellE>brr</span>” models go to each phase <b
3756style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3757mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3758minor-latin'>Atoms</span></b> tab and change the refinement flags to <b
3759style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3760mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3761minor-latin'>XU</span></b> for the chemical ones and <b style='mso-bidi-font-weight:
3762normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3763minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
3764for the magnetic ones. Also make the number of <b style='mso-bidi-font-weight:
3765normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3766minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
3767terms <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3768mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3769minor-latin'>6</span></b> for each; that will provide slight improvement as
3770well. The do <b style='mso-bidi-font-weight:normal'><span style='font-family:
3771"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3772minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> for
3773each one. After several cycles of refinement I find the “<span class=SpellE>rrb</span>”
3774model <span class=SpellE>Rwp</span>=7.615%, the “<span class=SpellE>rbr</span>”
3775model <span class=SpellE>Rwp</span>=7.716% and the “<span class=SpellE>brr</span>”
3776model <span class=SpellE>Rwp</span>=7.591%.</p>
3777
3778<p class=MsoNormal>Finally, if one examines the Atom tabs for the “<span
3779class=SpellE>rrb</span>” and “<span class=SpellE>brr</span>’ models, the <span
3780class=GramE>My</span> component of the magnetic moment is quite close to zero
3781(My ~0.2) for both. Set it to zero in both cases and add the hold on <b
3782style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3783mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3784minor-latin'>1:<span class=GramE>:AMy:0</span></span></b> in the <b
3785style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3786mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3787minor-latin'>Constraints</span></b> for each as well to keep them at zero.
3788Repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3789mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3790minor-latin'>Calculate/Refine</span></b>. I got <span class=SpellE>Rwp</span>=7.616%
3791for the “<span class=SpellE>rrb</span>” model and <span class=SpellE>Rwp</span>=7.558%
3792for the “<span class=SpellE>brr</span>” model indicating a slight preference
3793for the latter. A very close look at the peak at 32.7°2&#920; gives some
3794indication of where this small difference in residual comes from (“<span
3795class=SpellE>rrb</span>” on left &amp; “<span class=SpellE>brr</span>” on
3796right).The plots are the square root of intensity and the weighted difference
3797is shown below. </p>
3798
3799<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3800 id="Picture_x0020_73" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:237.75pt;
3801 height:511.5pt;visibility:visible;mso-wrap-style:square'>
3802 <v:imagedata src="SimpleMagnetic_files/image209.png" o:title=""/>
3803</v:shape><![endif]--><![if !vml]><img border=0 width=317 height=682
3804src="SimpleMagnetic_files/image205.png" v:shapes="Picture_x0020_73"><![endif]><!--[if gte vml 1]><v:shape
3805 id="Picture_x0020_74" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:239.25pt;
3806 height:510pt;visibility:visible;mso-wrap-style:square'>
3807 <v:imagedata src="SimpleMagnetic_files/image211.png" o:title=""/>
3808</v:shape><![endif]--><![if !vml]><img border=0 width=319 height=680
3809src="SimpleMagnetic_files/image207.png" v:shapes="Picture_x0020_74"><![endif]></span></p>
3810
3811<p class=MsoNormal>The magnetic peaks contributing to this peak are the 200,221
3812&amp; 020 for the “<span class=SpellE>rrb</span>” model; for the “<span
3813class=SpellE>brr</span>” model the 200 is absent. This extra reflection makes a
3814contribution to the profile for “<span class=SpellE>rrb</span>” that makes the
3815fit slightly worse than for the “<span class=SpellE>brr</span>” model. Thus,
3816the correct magnetic structure can be assigned for La<sub>0.7</sub>Ca<sub>0.3</sub>MnO3
3817as <span class=SpellE>Pbn’m</span>’ (not <span class=SpellE>Pb’n’m</span>). The
3818structure looks like</p>
3819
3820<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3821 id="Picture_x0020_75" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:5in;
3822 height:381pt;visibility:visible;mso-wrap-style:square'>
3823 <v:imagedata src="SimpleMagnetic_files/image213.png" o:title=""/>
3824</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=508
3825src="SimpleMagnetic_files/image208.png" v:shapes="Picture_x0020_75"><![endif]></span></p>
3826
3827<p class=MsoNormal><span class=GramE>which</span> shows that the ferromagnetic
3828arrangement is slightly canted in the z-direction (<span class=SpellE>Mz</span>
3829=0.50) with the major component (<span class=SpellE>Mx</span> =3.25) along the
3830x-axis. A test refinement with <span class=SpellE>Mz</span> = 0 gives a
3831slightly poorer fit <span class=SpellE>Rwp</span>=7.596% vs 7.591% and fails to
3832put any calculated intensity into the 1<sup>st</sup> weak peak (101 &amp; 011)
3833at 19.82°2&#920; thus confirming that the canting is apparently real.</p>
3834
3835<p class=MsoNormal>This completes the “simple magnetic structure” tutorials.</p>
3836
3837<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3838
3839<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3840
3841</div>
3842
3843</body>
3844
3845</html>
Note: See TracBrowser for help on using the repository browser.