Changeset 1735 for Tutorials/LabData

Timestamp:

Mar 18, 2015 10:36:16 AM (8 years ago)

Author:

vondreele

Message:

revise LabData? exercise

Location:

Tutorials/LabData

Files:

• Laboratory X.htm (modified) (65 diffs)
• Laboratory X_files/filelist.xml (modified) (1 diff)
• Laboratory X_files/image001.png (modified) (previous)
• Laboratory X_files/image002.png (modified) (previous)
• Laboratory X_files/image003.png (modified) (previous)
• Laboratory X_files/image005.png (modified) (previous)
• Laboratory X_files/image007.png (modified) (previous)
• Laboratory X_files/image008.png (modified) (previous)
• Laboratory X_files/image009.png (modified) (previous)
• Laboratory X_files/image010.png (modified) (previous)
• Laboratory X_files/image011.png (modified) (previous)
• Laboratory X_files/image013.png (modified) (previous)
• Laboratory X_files/image014.png (modified) (previous)
• Laboratory X_files/image015.png (modified) (previous)
• Laboratory X_files/image016.png (modified) (previous)
• Laboratory X_files/image017.png (modified) (previous)
• Laboratory X_files/image018.jpg (modified) (previous)
• Laboratory X_files/image019.png (modified) (previous)
• Laboratory X_files/image022.png (modified) (previous)
• Laboratory X_files/image023.png (modified) (previous)

Tutorials/LabData/Laboratory X.htm

@@ -8 +8 @@
 <meta http-equiv=Content-Type content="text/html; charset=windows-1252">
 <meta name=ProgId content=Word.Document>
-<meta name=Generator content="Microsoft Word 14">
-<meta name=Originator content="Microsoft Word 14">
+<meta name=Generator content="Microsoft Word 15">
+<meta name=Originator content="Microsoft Word 15">
 <link rel=File-List href="Laboratory%20X_files/filelist.xml">
 <link rel=Edit-Time-Data href="Laboratory%20X_files/editdata.mso">
@@ -23 +23 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>19</o:Revision>
-  <o:TotalTime>1591</o:TotalTime>
+  <o:Revision>20</o:Revision>
+  <o:TotalTime>1666</o:TotalTime>
   <o:Created>2012-05-08T16:04:00Z</o:Created>
-  <o:LastSaved>2013-04-30T20:30:00Z</o:LastSaved>
-  <o:Pages>9</o:Pages>
-  <o:Words>3099</o:Words>
-  <o:Characters>17666</o:Characters>
+  <o:LastSaved>2015-03-18T15:35:00Z</o:LastSaved>
+  <o:Pages>1</o:Pages>
+  <o:Words>3164</o:Words>
+  <o:Characters>18038</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>147</o:Lines>
-  <o:Paragraphs>41</o:Paragraphs>
-  <o:CharactersWithSpaces>20724</o:CharactersWithSpaces>
-  <o:Version>14.00</o:Version>
+  <o:Lines>150</o:Lines>
+  <o:Paragraphs>42</o:Paragraphs>
+  <o:CharactersWithSpaces>21160</o:CharactersWithSpaces>
+  <o:Version>15.00</o:Version>
  </o:DocumentProperties>
  <o:OfficeDocumentSettings>
@@ -44 +44 @@
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  <w:WordDocument>
-  <w:Zoom>FullPage</w:Zoom>
   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
@@ -84 +83 @@
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+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="header"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="footer"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="index heading"/>
+  <w:LsdException Locked="false" Priority="35" SemiHidden="true"
+   UnhideWhenUsed="true" QFormat="true" Name="caption"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="table of figures"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="envelope address"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="envelope return"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="footnote reference"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="annotation reference"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="line number"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="page number"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="endnote reference"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="endnote text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="table of authorities"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="macro"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="toa heading"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Bullet 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Number 5"/>
+  <w:LsdException Locked="false" Priority="10" QFormat="true" Name="Title"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Closing"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Signature"/>
+  <w:LsdException Locked="false" Priority="1" SemiHidden="true"
+   UnhideWhenUsed="true" Name="Default Paragraph Font"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text Indent"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="List Continue 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Message Header"/>
+  <w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Salutation"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Date"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text First Indent"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text First Indent 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Note Heading"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text Indent 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Body Text Indent 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Block Text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Hyperlink"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="FollowedHyperlink"/>
+  <w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
+  <w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Document Map"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Plain Text"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="E-mail Signature"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Top of Form"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Bottom of Form"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Normal (Web)"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Acronym"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Address"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Cite"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Code"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Definition"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Keyboard"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Preformatted"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Sample"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Typewriter"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="HTML Variable"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Normal Table"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="annotation subject"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="No List"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Outline List 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Outline List 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Outline List 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Simple 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Simple 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Simple 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Classic 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Colorful 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Colorful 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Colorful 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Columns 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 6"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 7"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Grid 8"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 4"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 5"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 6"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 7"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table List 8"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table 3D effects 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table 3D effects 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table 3D effects 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Contemporary"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Elegant"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Professional"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Subtle 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Subtle 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Web 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Web 2"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Web 3"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Balloon Text"/>
+  <w:LsdException Locked="false" Priority="59" Name="Table Grid"/>
+  <w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
+   Name="Table Theme"/>
+  <w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
+  <w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
+  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
+  <w:LsdException Locked="false" Priority="34" QFormat="true"
+   Name="List Paragraph"/>
+  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
+  <w:LsdException Locked="false" Priority="30" QFormat="true"
+   Name="Intense Quote"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
+  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
+  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
+  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
+  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
+  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
+  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
+  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
+  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
+  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
+  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
+  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
+  <w:LsdException Locked="false" Priority="19" QFormat="true"
+   Name="Subtle Emphasis"/>
+  <w:LsdException Locked="false" Priority="21" QFormat="true"
+   Name="Intense Emphasis"/>
+  <w:LsdException Locked="false" Priority="31" QFormat="true"
+   Name="Subtle Reference"/>
+  <w:LsdException Locked="false" Priority="32" QFormat="true"
+   Name="Intense Reference"/>
+  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
+  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
+   UnhideWhenUsed="true" Name="Bibliography"/>
+  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
+   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
+  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
+  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
+  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
+  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
+  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
+  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
+  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
+  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
+  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 1"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 2"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 3"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 4"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 5"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="Grid Table 1 Light Accent 6"/>
+  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
+  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
+  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="Grid Table 6 Colorful Accent 6"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="Grid Table 7 Colorful Accent 6"/>
+  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
+  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
+  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 1"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 1"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 2"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 2"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 3"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 3"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 4"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 4"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 5"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 5"/>
+  <w:LsdException Locked="false" Priority="46"
+   Name="List Table 1 Light Accent 6"/>
+  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
+  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
+  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
+  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
+  <w:LsdException Locked="false" Priority="51"
+   Name="List Table 6 Colorful Accent 6"/>
+  <w:LsdException Locked="false" Priority="52"
+   Name="List Table 7 Colorful Accent 6"/>
  </w:LatentStyles>
 </xml><![endif]-->
@@ -344 +656 @@
  /* Font Definitions */
  @font-face
+        {font-family:"Cambria Math";
+        panose-1:2 4 5 3 5 4 6 3 2 4;
+        mso-font-charset:0;
+        mso-generic-font-family:roman;
+        mso-font-pitch:variable;
+        mso-font-signature:-536870145 1107305727 0 0 415 0;}
+@font-face
         {font-family:Calibri;
         panose-1:2 15 5 2 2 2 4 3 2 4;
@@ -366 +685 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -381 +700 @@
         mso-outline-level:1;
         font-size:24.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;
@@ -397 +716 @@
         mso-outline-level:2;
         font-size:18.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;
@@ -413 +732 @@
         mso-outline-level:3;
         font-size:13.5pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;
@@ -432 +751 @@
         mso-outline-level:4;
         font-size:13.0pt;
-        font-family:"Cambria","serif";
+        font-family:"Cambria",serif;
         mso-ascii-font-family:Cambria;
         mso-ascii-theme-font:major-latin;
@@ -457 +776 @@
         mso-outline-level:5;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;
@@ -482 +801 @@
         mso-pagination:widow-orphan;
         font-size:8.0pt;
-        font-family:"Tahoma","sans-serif";
+        font-family:"Tahoma",sans-serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -494 +813 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -516 +835 @@
         mso-pagination:widow-orphan;
         font-size:8.0pt;
-        font-family:"Tahoma","sans-serif";
+        font-family:"Tahoma",sans-serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -534 +853 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -550 +869 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -567 +886 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -584 +903 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -601 +920 @@
         mso-pagination:widow-orphan;
         font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";
         mso-fareast-theme-font:minor-fareast;}
@@ -623 +942 @@
         mso-ansi-font-size:24.0pt;
         mso-bidi-font-size:24.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-ascii-font-family:"Times New Roman";
         mso-fareast-font-family:"Times New Roman";
@@ -640 +959 @@
         mso-ansi-font-size:18.0pt;
         mso-bidi-font-size:18.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-ascii-font-family:"Times New Roman";
         mso-fareast-font-family:"Times New Roman";
@@ -656 +975 @@
         mso-ansi-font-size:13.5pt;
         mso-bidi-font-size:13.5pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-ascii-font-family:"Times New Roman";
         mso-fareast-font-family:"Times New Roman";
@@ -672 +991 @@
         mso-ansi-font-size:13.0pt;
         mso-bidi-font-size:13.0pt;
-        font-family:"Cambria","serif";
+        font-family:"Cambria",serif;
         mso-ascii-font-family:Cambria;
         mso-ascii-theme-font:major-latin;
@@ -694 +1013 @@
         mso-ansi-font-size:12.0pt;
         mso-bidi-font-size:12.0pt;
-        font-family:"Times New Roman","serif";
+        font-family:"Times New Roman",serif;
         mso-ascii-font-family:"Times New Roman";
         mso-fareast-font-family:"Times New Roman";
@@ -723 +1042 @@
         mso-ansi-font-size:8.0pt;
         mso-bidi-font-size:8.0pt;
-        font-family:"Tahoma","sans-serif";
+        font-family:"Tahoma",sans-serif;
         mso-ascii-font-family:Tahoma;
         mso-fareast-font-family:"Times New Roman";
@@ -738 +1057 @@
         mso-ansi-font-size:8.0pt;
         mso-bidi-font-size:8.0pt;
-        font-family:"Tahoma","sans-serif";
+        font-family:"Tahoma",sans-serif;
         mso-ascii-font-family:Tahoma;
         mso-fareast-font-family:"Times New Roman";
@@ -756 +1075 @@
         mso-ansi-font-size:10.0pt;
         mso-bidi-font-size:10.0pt;
-        font-family:"Calibri","sans-serif";
         mso-ascii-font-family:Calibri;
         mso-ascii-theme-font:minor-latin;
@@ -933 +1251 @@
         mso-pagination:widow-orphan;
         font-size:10.0pt;
-        font-family:"Calibri","sans-serif";
+        font-family:"Calibri",sans-serif;
         mso-ascii-font-family:Calibri;
         mso-ascii-theme-font:minor-latin;
@@ -953 +1271 @@
         mso-pagination:widow-orphan;
         font-size:10.0pt;
-        font-family:"Calibri","sans-serif";
+        font-family:"Calibri",sans-serif;
         mso-ascii-font-family:Calibri;
         mso-ascii-theme-font:minor-latin;
@@ -976 +1294 @@
 <p class=MsoNormal>In this tutorial you will refine the structure of <span
 class=SpellE>fluoroapatite</span>, <span class=GramE>Ca<sub>5</sub>F(</span>PO<sub>4</sub>)<sub>3</sub>,
-using constant wavelength laboratory X-ray powder diffraction data. At the completion
-of the refinement you will then prepare a drawing of the <span class=SpellE>fluoroapatite</span>
-structure. The structure is hexagonal with four different kinds of atoms spread
-over seven different sites. The data was taken on a conventional Bragg-Brentano
-powder diffractometer using <span class=SpellE>CuK</span><sub><span
-style='font-family:Symbol'>a</span></sub> radiation.</p>
-
-<p class=MsoNormal>If you have not done so already, <a
-href="Starting%20GSAS.htm">start GSAS-II</a>.</p>
-
-<p class=MsoNormal>We suggest that you do the <a
-href="Neutron%20CW%20Powder%20Data.htm">CW Neutron powder</a> exercise first
-before doing this one. Some things are covered there in more detail that we
-will not cover here.</p>
+using constant wavelength laboratory X-ray powder diffraction data. At the
+completion of the refinement you will then prepare a drawing of the <span
+class=SpellE>fluoroapatite</span> structure. The structure is hexagonal with
+four different kinds of atoms spread over seven different sites. The data was
+taken on a conventional Bragg-Brentano powder diffractometer using <span
+class=SpellE>CuK</span><sub><span style='font-family:Symbol'>a</span></sub>
+radiation.</p>
+
+<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
+
+<p class=MsoNormal>We suggest that you do the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Neutron CW Powder Data</span></b>
+exercise first before doing this one. Some things are covered there in more
+detail that we will not cover here.</p>
 
 <h2>Step 1: read in the data file</h2>
@@ -996 +1315 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Import/Import Powder Data/from GSAS
@@ -1003 +1322 @@
 files) defined for GSAS (angles in <span class=SpellE>centidegrees</span>). The
 <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
 class=SpellE>Topas</span>, etc. can also be read via the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Import/Import Powder Data</span></b>
 menus.<span style='mso-spacerun:yes'>  </span>Change the file directory to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Exercises/<span class=SpellE>fluroapatite</span></span></b><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>exercises/<span class=SpellE>LabData</span></span></b><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'> to find the file; you will need to change the file type to <b
@@ -1023 +1342 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>FAP.XRA</span></b><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'> data</span> file in the first dialog and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
 Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
@@ -1047 +1366 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>INST_XRY.PRM</span></b> instrument
 parameter file in the second dialog and press <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Open</span></b>.</p>
 
 <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>GSAS-II data tree</span></b> window will have several entries and
@@ -1081 +1400 @@
  <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
  <o:lock v:ext="edit" aspectratio="t"/>
-</v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1044" type="#_x0000_t75"
- style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
+</v:shapetype><v:shape id="_x0000_i1044" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image001.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img width=700 height=600
+src="Laboratory%20X_files/image001.png" v:shapes="_x0000_i1044"><![endif]></span></p>
 
 <h2>Step 2: Create the phase</h2>
@@ -1133 +1452 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'><span class=SpellE>Ca</span></p>
+  mso-add-space:auto;text-align:center'>Ca</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1162 +1481 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'><span class=SpellE>Ca</span></p>
+  mso-add-space:auto;text-align:center'>Ca</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1335 +1654 @@
 <p class=MsoNormal>To import the <span class=SpellE>fluroapatite</span> phase
 information from the file FAP.EXP use the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Import/Import Phase menu</span></b> <span class=SpellE>menu</span>
-to see a <span class=SpellE>pulldown</span> menu. Select <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+to see a pulldown menu. Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+minor-latin'>from GSAS .EXP file. </span></b>The file selection dialog will
+still be set to the directory the data was found; click on <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>from GSAS .EXP file. </span></b>The file
-selection dialog will still be set to the directory the data was found; click
-on <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>FAP.EXP</span></b> and <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b> to open it. A small
-dialog box with a phase name of ‘<span class=SpellE><b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+mso-bidi-theme-font:minor-latin'>FAP.EXP</span></b> and <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>fap</span></b></span>’ will appear. We didn’t
-change it so press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-bidi-theme-font:minor-latin'>Open</span></b> to open it. You will see an <span
+class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'> this the file you want?</span></b> <span
+class=GramE>dialog</span>; press <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Yes</span></b> to proceed. A small dialog box
+with a phase name of ‘<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>OK</span></b> to accept it. </p>
-
-<h2>Step 3 Add the powder data to the phase</h2>
+minor-latin'>fap</span></b></span>’ will appear. We didn’t change it so press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b> to accept it. Next an <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Add
+histogram(s)</span></b> dialog will appear; select the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>PWDR FAP.XRA</span></b> item and
+press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.</p>
+
+<h2>Step 3 First view of the general phase information</h2>
 
 <p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>GSAS-II data tree</span></b> should now have a <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> entry of <span
 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span>.
 Select it.to view the <span class=SpellE>fap</span> phase information</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1043" type="#_x0000_t75" style='width:545.25pt;height:454.5pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_6" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:487.5pt;
+ height:375pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image002.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=727 height=606
-src="Laboratory%20X_files/image002.png" v:shapes="_x0000_i1043"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=650 height=500
+src="Laboratory%20X_files/image002.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
 
 <p class=MsoNormal>You can see that the number of each kind of atom gives 2
-formula units per cell. To add the powder data to this phase click on the Data
-tab and then select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+formula units per cell. The <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Edit/Add powder histograms</span></b> from the menu. A <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Use data</span></b> window will appear
-with only one choice <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>PWDR FAP.XRA: BANK 1</span></b>. Select it and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. The <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Data</span></b> tab will change; press
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Show PWDR FAP.XRA: BANK 1</span></b>
-check box; the window will change again</p>
+minor-latin'>Data</span></b> tab will show the sample broadening information,
+etc. associated with the powder data set we just loaded.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1042" type="#_x0000_t75" style='width:480pt;height:315pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_22" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:342.75pt;
+ height:375pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image003.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=640 height=420
-src="Laboratory%20X_files/image003.png" v:shapes="_x0000_i1042"><![endif]></span></p>
-
-<p class=MsoNormal>We will return to this window later when we consider the effect
-of crystallite size and mustrain broadening.</p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
+src="Laboratory%20X_files/image003.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
+
+<p class=MsoNormal>We will return to this window later when we consider the
+effect of crystallite size and mustrain broadening.</p>
 
 <h2>Step 4: Adjust background parameterization</h2>
@@ -1419 +1735 @@
 at the high angle end as well. The default background function doesn’t handle
 this very well so find the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Background</span></b> item under <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>PWDR FAP.XRA: BANK1</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and press
-it. The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+it. The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Background</span></b> window will
@@ -1441 +1757 @@
 
 <p class=MsoNormal>Change the background function to <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>log interpolate</span></b> and the number of
 coefficients to <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>9. </span></b>This
 will put background points at the two limits and at equal spaces in <span
 class=GramE>log(</span>2<span style='font-family:Symbol'>Q</span>) in between
 so there are more where the background is changing most rapidly. A linear
-interpolation is then used to compute the background for all points in the
-pattern during the Rietveld refinement.</p>
+interpolation is then used to compute the background for all points in the pattern
+during the Rietveld refinement.</p>
 
 <h2>Step 5 1<sup>st</sup> Rietveld refinement</h2>
@@ -1457 +1773 @@
 <p class=MsoNormal>You are now ready for the 1<sup>st</sup> Rietveld
 refinement; the histogram scale (found in <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Sample Parameters</span></b>) and background will be refined.
-Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu. You
-will be asked for a project file <span class=GramE>name,</span> we used ‘<span
-class=SpellE>f<b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>ap</span></b></span>’
-and made the file <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+will be asked for a project file name, we used ‘<span class=SpellE>f<b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>ap</span></b></span>’ and made the
+file <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>fap.gpx</span></b></span>. The <span class=GramE>refinement
-proceeds and when complete</span> (<span class=SpellE>Rwp</span> ~42.8%) a
-small dialog box will appear asking <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Load new result?</span></b> Press <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>OK</span></b>; the windows will be updated and
-a new plot is displayed.</p>
+minor-latin'>fap.gpx</span></b></span>. The refinement proceeds and when
+complete (<span class=SpellE>Rwp</span> ~45.2%) a small dialog box will appear
+asking <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Load new result?</span></b> Press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>; the windows will be
+updated and a new plot is displayed.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1040" type="#_x0000_t75" style='width:525pt;height:450pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_24" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image005.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image005.png" v:shapes="_x0000_i1040"><![endif]></span></p>
-
-<p class=MsoNormal><span class=GramE>Expanding the plot shows that much of the
-difference is that the calculated peaks are out of place.</span> This is due to
-lattice parameters and also that in this Bragg-Brentano experiment the sample
-position is offset from the focusing circle. <b style='mso-bidi-font-weight:
-normal'>Important</b>: this is the most likely reason for peaks displacement
-errors in laboratory data, not the zero point. The lattice parameter flag is on
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>General</span></b> tab for the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+src="Laboratory%20X_files/image005.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
+
+<p class=MsoNormal>Expanding the plot shows that much of the difference is that
+the calculated peaks are out of place. This is due to lattice parameters and
+also that in this Bragg-Brentano experiment the sample position is offset from
+the focusing circle. <b style='mso-bidi-font-weight:normal'>Important</b>: this
+is the most likely reason for peaks displacement errors in laboratory data, not
+the zero point. The lattice parameter flag is on the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>General</span></b> tab for the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span> and the sample
-displacement is found on the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span> and the sample displacement
+is found on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Sample
+Parameters</span></b> item under <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Sample Parameters</span></b> item under <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin'>PWDR FAP.XRA: BANK1 </span></b>in the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>PWDR FAP.XRA: BANK1 </span></b>in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. Go to
-both places and set those flags.</p>
+mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. Go to both
+places and set those flags; make sure that the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Diffractometer type</span></b> is
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Bragg-Brentano</span></b>.</p>
 
 <h2>Step 6 2<sup>nd</sup> Rietveld refinement</h2>
 
 <p class=MsoNormal>Now do the Rietveld refinement by <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> menu on <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
@@ -1586 +1905 @@
     <div v:shape="Text_x0020_Box_x0020_2" style='padding:3.6pt 7.2pt 3.6pt 7.2pt'
     class=shape>
-    <p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
+    <p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri",sans-serif;
     mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;
     mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;
@@ -1605 +1924 @@
 </table>
 
-</span><![endif]><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Times New Roman";
-mso-bidi-theme-font:minor-bidi;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+</span><![endif]><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
  id="Picture_x0020_25" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
  height:450pt;visibility:visible;mso-wrap-style:square'>
@@ -1616 +1932 @@
 
 <p class=MsoNormal><span class=GramE>noticeably</span> improved (<span
-class=SpellE>Rwp</span> ~17%). Close inspection (see inset) shows that most of
-the differences are in the widths of the peaks so we should refine crystallite
-size and <span class=SpellE>mustrain</span> parameters next.</p>
+class=SpellE>Rwp</span> ~14.5%). Close inspection (see inset) shows that most
+of the differences are in the widths of the peaks so we should refine
+crystallite size and <span class=SpellE>mustrain</span> parameters next.</p>
 
 <h2>Step 7 3<sup>rd</sup> Rietveld refinement</h2>
 
 <p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Phases/<span class=SpellE>fap</span></span></b> item in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and then
 select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Data</span></b>
 tab and set the refine flags for both size and <span class=SpellE>mustrain</span>.
@@ -1636 +1952 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_20" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:342.75pt;
- height:274.5pt;visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_26" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:342.75pt;
+ height:375pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image009.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=366
-src="Laboratory%20X_files/image009.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
+src="Laboratory%20X_files/image009.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
 
 <p class=MsoNormal>Now do the refinement; press the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> menu item on the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
@@ -1652 +1968 @@
 the progress bar; that is a consequence of how the <span class=SpellE>Levenberg</span>-Marquardt
 algorithm does a least squares minimization. The result in the end is
-noticeably better than before (<span class=SpellE>Rwp</span>=11.4%)</p>
+noticeably better than before (<span class=SpellE>Rwp</span>=11.2%)</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_26" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
+ id="Picture_x0020_27" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
  height:450pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image010.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image010.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
-
-<h2><span class=GramE>Step 8.</span> 4<sup>th</sup> Rietveld refinement</h2>
+src="Laboratory%20X_files/image010.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
+
+<h2>Step 8. 4<sup>th</sup> Rietveld refinement</h2>
 
 <p class=MsoNormal>Now we can refine atom parameters. Select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Phases/<span class=SpellE>fap</span> </span></b>and
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab; the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Phase data for <span class=SpellE>fap</span></span></b>
@@ -1676 +1992 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_22" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
+ id="Picture_x0020_28" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image011.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
+src="Laboratory%20X_files/image011.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
 
 <p class=MsoNormal>Double click the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>refine</span></b> column header; a new window will show <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Refinement controls</span></b></p>
@@ -1698 +2014 @@
 
 <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>X - coordinates</span></b> and <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>U - thermal parameters</span></b> and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. The <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab will show new <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>refine</span></b> flags</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_24" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
+ id="Picture_x0020_29" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image013.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image013.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
+src="Laboratory%20X_files/image013.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
 
 <p class=MsoNormal>Now run the refinement; press the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> menu item on the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
-The result is a bit better (<span class=SpellE>Rwp</span>=10.20%) and the plot
+The result is a bit better (<span class=SpellE>Rwp</span>=10.4%) and the plot
 is pretty much the same as before</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1033" type="#_x0000_t75" style='width:525pt;height:450pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_30" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image014.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image014.png" v:shapes="_x0000_i1033"><![endif]></span></p>
+src="Laboratory%20X_files/image014.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
 
 <p class=MsoNormal><span class=GramE>and</span> the atom parameters are</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_28" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
+ id="_x0000_i1032" type="#_x0000_t75" style='width:525pt;height:225pt;
+ visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image015.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image015.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
+src="Laboratory%20X_files/image015.png" v:shapes="_x0000_i1032"><![endif]></span></p>
 
 <p class=MsoNormal>The refinement is now essentially complete. The file <span
@@ -1751 +2067 @@
 values and <span class=SpellE>esds</span> for all the parameters</p>
 
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>Refinement
-results:<br>
----------------------------------------------------------------------------------------------------<br>
-Number of function calls: 12<span style='mso-spacerun:yes'>  </span>Number of
-observations:<span style='mso-spacerun:yes'>  </span>5751<span
-style='mso-spacerun:yes'>  </span>Number of parameters:<span
-style='mso-spacerun:yes'>  </span>34<br>
-Refinement time =<span style='mso-spacerun:yes'>   </span>18.062s,<span
-style='mso-spacerun:yes'>    </span>4.516s/cycle, for 4 cycles<br>
-<span class=SpellE>wRp</span> =<span style='mso-spacerun:yes'>   </span>10.20%,
-chi**2 =<span style='mso-spacerun:yes'>      </span>18996.3, reduced chi**2
-=<span style='mso-spacerun:yes'>   </span>3.32<br>
-<span class=SpellE>arning</span>: invalid value encountered in divide<br>
-<br>
-Phases:<br>
-Result for phase:<span style='mso-spacerun:yes'>  </span><span class=SpellE>fap</span><br>
-Reciprocal metric tensor:<br>
-<span style='mso-spacerun:yes'> </span>names :<span style='mso-spacerun:yes'>  
-</span><span style='mso-spacerun:yes'>         </span>A11<span
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>Refinement results:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Number of function calls: <span class=GramE>12<span
+style='mso-spacerun:yes'>  </span>Number</span> of observations:<span
+style='mso-spacerun:yes'>  </span>5751<span style='mso-spacerun:yes'> 
+</span>Number of parameters:<span style='mso-spacerun:yes'>  </span>34<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Refinement time =<span
+style='mso-spacerun:yes'>   </span>12.605s,<span style='mso-spacerun:yes'>   
+</span>3.151s/cycle, for 4 cycles<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=SpellE><span class=GramE>wR</span></span>
+=<span style='mso-spacerun:yes'>   </span>10.38%, chi**2 =<span
+style='mso-spacerun:yes'>      </span>19687.8, reduced chi**2 =<span
+style='mso-spacerun:yes'>   </span>3.44<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>----------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>Variables generated by
+constraints<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>name<span
+style='mso-spacerun:yes'>  </span>:</span><span
+style='mso-spacerun:yes'>          </span>0::A0<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
+style='mso-spacerun:yes'>         </span>0.0152<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>        
+</span>0.0000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Phases:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Result for phase:<span
+style='mso-spacerun:yes'>  </span><span class=SpellE>fap</span><o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Reciprocal metric tensor: <o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
+</span><span class=GramE>names :</span><span
+style='mso-spacerun:yes'>            </span>A11<span
 style='mso-spacerun:yes'>            </span>A22<span
 style='mso-spacerun:yes'>            </span>A33<span
 style='mso-spacerun:yes'>            </span>A12<span
 style='mso-spacerun:yes'>            </span>A13<span
-style='mso-spacerun:yes'>            </span>A23<br>
-<span style='mso-spacerun:yes'> </span>values:<span
-style='mso-spacerun:yes'>    </span>0.015177579<span
-style='mso-spacerun:yes'>    </span>0.015177579<span
-style='mso-spacerun:yes'>    </span>0.021087097<span
-style='mso-spacerun:yes'>    </span>0.015177579<span
+style='mso-spacerun:yes'>            </span>A23<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
+</span><span class=GramE>values</span>:<span style='mso-spacerun:yes'>   
+</span>0.015180436<span style='mso-spacerun:yes'>    </span>0.015180436<span
+style='mso-spacerun:yes'>    </span>0.021090011<span
+style='mso-spacerun:yes'>    </span>0.015180436<span
 style='mso-spacerun:yes'>    </span>0.000000000<span
-style='mso-spacerun:yes'>    </span>0.000000000<br>
-<span style='mso-spacerun:yes'> </span><span class=SpellE>esds</span><span
-style='mso-spacerun:yes'>  </span>:<span style='mso-spacerun:yes'>   
-</span>0.000000312<span style='mso-spacerun:yes'>                  
-</span>0.000000250<br>
-New unit cell:<br>
-<span style='mso-spacerun:yes'> </span>names :<span
+style='mso-spacerun:yes'>    </span>0.000000000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
+</span><span class=SpellE><span class=GramE>esds</span></span><span
+class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
+style='mso-spacerun:yes'>    </span>0.000000320<span
+style='mso-spacerun:yes'>                   </span>0.000000255<span
+style='mso-spacerun:yes'>                                             </span><o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>New unit cell:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
+</span><span class=GramE>names :</span><span
 style='mso-spacerun:yes'>           </span>a<span
 style='mso-spacerun:yes'>           </span>b<span
-style='mso-spacerun:yes'>           </span>c<span
-style='mso-spacerun:yes'>       </span>alpha<span
-style='mso-spacerun:yes'>        </span>beta<span
+style='mso-spacerun:yes'>       </span><span
+style='mso-spacerun:yes'>    </span>c<span style='mso-spacerun:yes'>      
+</span>alpha<span style='mso-spacerun:yes'>        </span>beta<span
 style='mso-spacerun:yes'>       </span>gamma<span
-style='mso-spacerun:yes'>      </span>Volume<br>
-<span style='mso-spacerun:yes'> </span>values:<span
-style='mso-spacerun:yes'>    </span>9.372773<span style='mso-spacerun:yes'>   
-</span>9.372773<span style='mso-spacerun:yes'>    </span>6.886390<span
-style='mso-spacerun:yes'>     </span>90.0000<span style='mso-spacerun:yes'>    
-</span>90.0000<span style='mso-spacerun:yes'>    </span>120.0000<span
-style='mso-spacerun:yes'>     </span>523.912<br>
-<span style='mso-spacerun:yes'> </span><span class=SpellE>esds</span><span
-style='mso-spacerun:yes'>  </span>:<span style='mso-spacerun:yes'>   
-</span>0.000185<span style='mso-spacerun:yes'>               
-</span>0.000041<span style='mso-spacerun:yes'>                          </span><span
-style='mso-spacerun:yes'>                 </span>0.008<br>
-<br>
-Atoms:<br>
-<span style='mso-spacerun:yes'>  </span>name<span
-style='mso-spacerun:yes'>      </span>x<span style='mso-spacerun:yes'>        
-</span>y<span style='mso-spacerun:yes'>         </span>z<span
-style='mso-spacerun:yes'>      </span><span class=SpellE>frac</span><span
-style='mso-spacerun:yes'>   </span><span class=SpellE>Uiso</span><span
-style='mso-spacerun:yes'>     </span>U11<span style='mso-spacerun:yes'>    
-</span>U22<span style='mso-spacerun:yes'>     </span>U33<span
-style='mso-spacerun:yes'>     </span>U12<span style='mso-spacerun:yes'>    
-</span>U13<span style='mso-spacerun:yes'>     </span>U23<br>
----------------------------------------------------------------------------------------------------<br>
-<span style='mso-spacerun:yes'>   </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=SpellE>Ca</span>:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.33333<span
-style='mso-spacerun:yes'>   </span>0.66667<span style='mso-spacerun:yes'>  
-</span>0.00176<span style='mso-spacerun:yes'>   </span>1.000 0.00811<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span
-style='mso-spacerun:yes'>                       </span>0.00029<span
-style='mso-spacerun:yes'>         </span>0.00036<br>
-<span style='mso-spacerun:yes'>   </span>CA2<span style='mso-spacerun:yes'>    
-</span><span class=SpellE>Ca</span>:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.24157<span
-style='mso-spacerun:yes'>   </span>0.99219<span style='mso-spacerun:yes'>  
-</span>0.25000<span style='mso-spacerun:yes'>   </span>1.000 0.00723<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00015<span style='mso-spacerun:yes'>   </span>0.00019<span
-style='mso-spacerun:yes'>                   </span>0.00028<br>
-<span style='mso-spacerun:yes'>    </span>P3<span
-style='mso-spacerun:yes'>      </span>P:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.39688<span
-style='mso-spacerun:yes'>   </span>0.36762<span style='mso-spacerun:yes'>  
-</span>0.25000<span style='mso-spacerun:yes'>   </span>1.000 0.00759<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+style='mso-spacerun:yes'>      </span>Volume<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
+</span><span class=GramE>values</span>:<span style='mso-spacerun:yes'>   
+</span>9.371891<span style='mso-spacerun:yes'>    </span>9.371891<span
+style='mso-spacerun:yes'>    </span>6.885914<span style='mso-spacerun:yes'>    
+</span>90.0000<span style='mso-spacerun:yes'>     </span>90.0000<span
+style='mso-spacerun:yes'>    </span>120.0000<span style='mso-spacerun:yes'>    
+</span>523.777<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
+</span><span class=SpellE><span class=GramE>esds</span></span><span
+class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
+style='mso-spacerun:yes'>    </span>0.000189<span
+style='mso-spacerun:yes'>                </span>0.000042<span
+style='mso-spacerun:yes'>                                          
+</span>0.008<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Atoms:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'>  
+</span><span class=GramE>name</span><span style='mso-spacerun:yes'>     
+</span>x<span style='mso-spacerun:yes'>         </span>y<span
+style='mso-spacerun:yes'>         </span>z<span style='mso-spacerun:yes'>     
+</span><span class=SpellE>frac</span><span style='mso-spacerun:yes'>   </span><span
+class=SpellE>Uiso</span><span style='mso-spacerun:yes'>     </span>U11<span
+style='mso-spacerun:yes'>     </span>U22<span style='mso-spacerun:yes'>    
+</span>U33<span style='mso-spacerun:yes'>     </span>U12<span
+style='mso-spacerun:yes'>     </span>U13<span style='mso-spacerun:yes'>    
+</span>U23<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>    </span>CA1<span style='mso-spacerun:yes'>    
+</span>Ca:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>: <span
+style='mso-spacerun:yes'>  </span>0.33333<span style='mso-spacerun:yes'>  
+</span>0.66667<span style='mso-spacerun:yes'>   </span>0.00202<span
+style='mso-spacerun:yes'>   </span>1.000 0.00840<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span
+style='mso-spacerun:yes'>                       </span>0.00030<span
+style='mso-spacerun:yes'>         </span>0.00036<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>    </span>CA2<span style='mso-spacerun:yes'>    
+</span>Ca:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.24161<span style='mso-spacerun:yes'>  
+</span>0.99231<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.00712<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00016<span style='mso-spacerun:yes'>   </span>0.00019<span
+style='mso-spacerun:yes'>                   </span>0.00029<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>     </span>P3<span style='mso-spacerun:yes'>     
+</span>P:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.39715<span style='mso-spacerun:yes'>  
+</span>0.36781<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.00719<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
 </span>0.00020<span style='mso-spacerun:yes'>   </span>0.00019<span
-style='mso-spacerun:yes'>                   </span>0.00040<br>
-<span style='mso-spacerun:yes'>    </span>F4<span
-style='mso-spacerun:yes'>      </span>F:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.00000<span
+style='mso-spacerun:yes'>                   </span>0.00040<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>     </span>F4<span style='mso-spacerun:yes'>     
+</span>F:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
 style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
-</span>0.25000<span style='mso-spacerun:yes'>   </span>1.000 0.01668<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span
-style='mso-spacerun:yes'>                                       </span>0.00137<br>
-<span style='mso-spacerun:yes'>    </span>O5<span
-style='mso-spacerun:yes'>      </span>O:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.32553<span
-style='mso-spacerun:yes'>   </span>0.48512<span style='mso-spacerun:yes'>  
-</span>0.25000<span style='mso-spacerun:yes'>   </span>1.000 0.00811<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00042<span style='mso-spacerun:yes'>   </span>0.00043<span
-style='mso-spacerun:yes'>                   </span>0.00104<br>
-<span style='mso-spacerun:yes'>    </span>O6<span
-style='mso-spacerun:yes'>      </span>O:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.58982<span
-style='mso-spacerun:yes'>   </span>0.46887<span style='mso-spacerun:yes'>  
-</span>0.25000<span style='mso-spacerun:yes'>   </span>1.000 0.01071<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00044<span style='mso-spacerun:yes'>   </span>0.00047<span
-style='mso-spacerun:yes'>                   </span>0.00110<br>
-<span style='mso-spacerun:yes'>    </span>O7<span
-style='mso-spacerun:yes'>      </span>O:<br>
-values:<span style='mso-spacerun:yes'>   </span>0.33994<span
-style='mso-spacerun:yes'>   </span>0.25894<span style='mso-spacerun:yes'>  
-</span>0.07098<span style='mso-spacerun:yes'>   </span>1.000 0.01035<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00035<span style='mso-spacerun:yes'>   </span>0.00034<span
-style='mso-spacerun:yes'>   </span>0.00034<span
-style='mso-spacerun:yes'>         </span>0.00077<br>
-<br>
-Phase:<span style='mso-spacerun:yes'>  </span><span class=SpellE>fap</span><span
-style='mso-spacerun:yes'>  </span>in histogram:<span style='mso-spacerun:yes'> 
-</span>PWDR FAP.XRA: BANK1<br>
----------------------------------------------------------------------------------------------------<br>
-Final refinement RF, RF^2 = 3.27%, 7.65% on 325 reflections<br>
-<br>
-Size model:<span style='mso-spacerun:yes'>     </span>isotropic
-equatorial:<span style='mso-spacerun:yes'>       </span>0.400, sig:<span
-style='mso-spacerun:yes'>   </span>0.070 LG mix <span class=SpellE>coeff</span>.:<span
-style='mso-spacerun:yes'>      </span>1.0000<br>
-<br>
-<span class=SpellE>Mustrain</span> model: isotropic equatorial:<span
-style='mso-spacerun:yes'>       </span>966.1, sig:<span
-style='mso-spacerun:yes'>     </span>25.3 LG mix <span class=SpellE>coeff</span>.:<span
-style='mso-spacerun:yes'>      </span>1.0000<br>
-<br>
-Histogram:<span style='mso-spacerun:yes'>  </span>PWDR FAP.XRA: BANK1<span
-style='mso-spacerun:yes'>  </span>histogram Id:<span style='mso-spacerun:yes'> 
-</span>0<br>
----------------------------------------------------------------------------------------------------<br>
-Final refinement <span class=SpellE>wRp</span> = 10.20% on 5751 observations in
-this histogram<br>
-Instrument type:<span style='mso-spacerun:yes'>  </span>Bragg-Brentano<br>
-<br>
-Sample Parameters:<br>
-names :<span style='mso-spacerun:yes'>         </span>Scale<span
-style='mso-spacerun:yes'>         </span>Shift<span style='mso-spacerun:yes'> 
-</span>Transparency<br>
-values:<span style='mso-spacerun:yes'>       </span>42.2328<span
-style='mso-spacerun:yes'>       </span>67.4518<span
-style='mso-spacerun:yes'>        </span>0.0000<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span
-style='mso-spacerun:yes'>        </span>0.1416<span
-style='mso-spacerun:yes'>        </span>0.3528<br>
-<br>
-Background function:<span style='mso-spacerun:yes'>  </span>log interpolate<br>
-value :<span style='mso-spacerun:yes'>      </span>623.3<span
-style='mso-spacerun:yes'>     </span>404.2<span style='mso-spacerun:yes'>    
-</span>262.4<span style='mso-spacerun:yes'>     </span>153.8<span
-style='mso-spacerun:yes'>     </span>104.4<span style='mso-spacerun:yes'>    
-</span>71.28<span style='mso-spacerun:yes'>     </span>50.69<span
-style='mso-spacerun:yes'>     </span>49.62<span style='mso-spacerun:yes'>    
-</span>61.33<br>
-sig<span style='mso-spacerun:yes'>   </span>:<span
-style='mso-spacerun:yes'>      </span>5.265<span style='mso-spacerun:yes'>    
-</span>3.069<span style='mso-spacerun:yes'>     </span>2.323<span
-style='mso-spacerun:yes'>     </span>1.753<span style='mso-spacerun:yes'>    
-</span>1.311<span style='mso-spacerun:yes'>    </span>0.9978<span
-style='mso-spacerun:yes'>    </span>0.9045<span style='mso-spacerun:yes'>    
-</span>1.121<span style='mso-spacerun:yes'>     </span>1.425<o:p></o:p></span></p>
-
-<h2><span class=GramE>Step 9.</span> Draw the structure</h2>
+</span>0.00000<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.01746<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span
+style='mso-spacerun:yes'>                                       </span>0.00142<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>     </span>O5<span style='mso-spacerun:yes'>     
+</span>O:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.32546<span style='mso-spacerun:yes'>  
+</span>0.48503<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.00814<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00043<span style='mso-spacerun:yes'>   </span>0.00044<span
+style='mso-spacerun:yes'>                   </span>0.00105<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>     </span>O6<span style='mso-spacerun:yes'>     
+</span>O:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.59033<span style='mso-spacerun:yes'>  
+</span>0.46939<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.01114<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00045<span style='mso-spacerun:yes'>   </span>0.00048<span
+style='mso-spacerun:yes'>                   </span>0.00112<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'>     </span>O7<span style='mso-spacerun:yes'>     
+</span>O:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.33975<span style='mso-spacerun:yes'>  
+</span>0.25900<span style='mso-spacerun:yes'>   </span>0.07097<span
+style='mso-spacerun:yes'>   </span>1.000 0.01096<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00035<span style='mso-spacerun:yes'>   </span>0.00035<span
+style='mso-spacerun:yes'>   </span>0.00035<span
+style='mso-spacerun:yes'>         </span>0.00079<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'>  </span><span
+class=SpellE><span class=GramE>fap</span></span><span class=GramE><span
+style='mso-spacerun:yes'>  </span>in</span> histogram:<span
+style='mso-spacerun:yes'>  </span>PWDR FAP.XRA Bank 1<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>----------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Final refinement RF, RF^2 = 3.32%, 7.53% on
+325 reflections<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Bragg intensity sum = 1.16e+06<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Size model:<span style='mso-spacerun:yes'>    
+</span>isotropic equatorial:<span style='mso-spacerun:yes'>     </span>0.39088,
+sig:<span style='mso-spacerun:yes'>  </span>0.0718 LG mix <span class=SpellE><span
+class=GramE>coeff</span></span><span class=GramE>.:</span><span
+style='mso-spacerun:yes'>      </span>1.0000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=SpellE>Mustrain</span> model:
+isotropic equatorial:<span style='mso-spacerun:yes'>    </span><span
+style='mso-spacerun:yes'>   </span>961.3, sig:<span
+style='mso-spacerun:yes'>    </span>25.8 LG mix <span class=SpellE><span
+class=GramE>coeff</span></span><span class=GramE>.:</span><span
+style='mso-spacerun:yes'>      </span>1.0000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Histogram:<span style='mso-spacerun:yes'> 
+</span>PWDR FAP.XRA Bank <span class=GramE>1<span style='mso-spacerun:yes'> 
+</span>histogram</span> Id:<span style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>PWDR histogram weight factor = 1.000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Final refinement <span class=SpellE>wR</span>
+= 10.38% on 5751 observations in this histogram<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Other residuals: R = 8.12%, <span
+class=SpellE>Rb</span> = 8.36%, <span class=SpellE>wRb</span> = 10.23% <span
+class=SpellE>wRmin</span> = 5.61%<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Instrument type:<span
+style='mso-spacerun:yes'>  </span>Bragg-Brentano<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Sample Parameters:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
+style='mso-spacerun:yes'>         </span>Scale<span
+style='mso-spacerun:yes'>    </span><span
+style='mso-spacerun:yes'>     </span>Shift<span style='mso-spacerun:yes'> 
+</span>Transparency<span style='mso-spacerun:yes'>    </span><span
+class=SpellE>SurfRoughA</span><span style='mso-spacerun:yes'>    </span><span
+class=SpellE>SurfRoughB</span><o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>       </span>42.2873<span
+style='mso-spacerun:yes'>       </span>83.9821<span
+style='mso-spacerun:yes'>        </span>0.0000<span
+style='mso-spacerun:yes'>        </span>0.0000<span
+style='mso-spacerun:yes'>        </span>0.0000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>       
+</span>0.1442<span style='mso-spacerun:yes'>        </span>0.3609<span
+style='mso-spacerun:yes'>                                          </span><o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><o:p>&nbsp;</o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Background function:<span
+style='mso-spacerun:yes'>  </span>log interpolate<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
+style='mso-spacerun:yes'>      </span>623.5<span style='mso-spacerun:yes'>    
+</span>405.2<span style='mso-spacerun:yes'>     </span>262.1<span
+style='mso-spacerun:yes'>       </span>154<span style='mso-spacerun:yes'>    
+</span>104.5<span style='mso-spacerun:yes'>     </span>71.38<span
+style='mso-spacerun:yes'>     </span>50.48<span style='mso-spacerun:yes'>    
+</span>49.97<span style='mso-spacerun:yes'>     </span>59.71<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>      
+</span>5.36<span style='mso-spacerun:yes'>     </span>3.124<span
+style='mso-spacerun:yes'>     </span>2.364<span style='mso-spacerun:yes'>    
+</span>1.785<span style='mso-spacerun:yes'>     </span>1.334<span
+style='mso-spacerun:yes'>     </span>1.016<span style='mso-spacerun:yes'>   
+</span>0.9211<span style='mso-spacerun:yes'>     </span>1.141<span
+style='mso-spacerun:yes'>     </span>1.451<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Background sums: empirical 6.3e+05, Debye 0,
+peaks 0, Total 6.3e+05<o:p></o:p></span></h2>
+
+<h2>Step 9. Draw the structure</h2>
 
 <p class=MsoNormal>What we like to show is the unit cell contents with the PO<sub>4</sub><sup>-3</sup>
-ions as tetrahedra and the <span class=SpellE>Ca</span> and F atoms as balls.
+ions as <span class=SpellE>tetrahedra</span> and the Ca and F atoms as balls.
 Begin by finding <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Phases/<span
 class=SpellE>fap</span></span></b> in <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>GSAS-II data tree</span></b> and selecting the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Drawing Options</span></b> tab. The <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Phase data for <span class=SpellE>fap</span></span></b>
 window shows <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Drawing
 controls</span></b></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_27" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:274.5pt;
- height:260.25pt;visibility:visible;mso-wrap-style:square'>
+ id="_x0000_i1031" type="#_x0000_t75" style='width:292.5pt;height:327pt;
+ visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image016.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=347
-src="Laboratory%20X_files/image016.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=390 height=436
+src="Laboratory%20X_files/image016.png" v:shapes="_x0000_i1031"><![endif]></span></p>
 
 <p class=MsoNormal>The plot will show a new tab marked <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span> showing some
-balls in various colors.</p>
+balls in various colors. A unit cell box is drawn with 3 colored edges (Red,
+Green &amp; Blue for a, b, c axes, respectively). A multicolored (RGB, again) 3D
+cross is at the center of the plot.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_1" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:413.25pt;
- height:339pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image017.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=551 height=452
-src="Laboratory%20X_files/image018.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
+ id="Picture_x0020_1" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:367.5pt;
+ height:314.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image017.png" o:title="" croptop="9602f"
+  cropbottom="18161f" cropleft="42255f" cropright="8056f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=490 height=419
+src="Laboratory%20X_files/image018.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
 
 <p class=MsoNormal>Notice the slider controls in <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Drawing controls; </span></b>you can change
-them to change the how the structure is displayed. Set the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Show unit cell?</span></b> <span class=GramE>check</span>
-box if needed (the drawing will show the unit cell edges) and then press the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+them to change the how the structure is displayed. Press the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw atoms</span></b> tab; this will
@@ -1983 +2551 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_29" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:450pt;
+ id="Picture_x0020_289" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:450pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image019.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=600 height=300
-src="Laboratory%20X_files/image019.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
+src="Laboratory%20X_files/image019.png" v:shapes="Picture_x0020_289"><![endif]></span></p>
 
 <p class=MsoNormal>This is a copy of what is in the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Atoms</span></b> table; there are columns that
 allow you to change how the atoms are displayed, their labels and their color
 all controlled on an atom-by-atom basis. Now if the contents of the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> table change (e.g. by
 refinement) then you must manually update the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> table by erasing all the
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>. They are then
 automatically refreshed from the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Atoms</span></b> table with the new values. Do this by selecting
-all the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+all the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>; double click
 the blank in the upper left corner of the table. All atoms will be highlighted
-in dark gray. Then press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Edit/Delete atoms</span></b> in the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. All the atoms will
-vanish and then reappear with updated values. Now we can draw the structure
-assured that we are using the final result from the refinement. </p>
+in dark gray; they will all be green on the plot. Then press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Edit/Delete atoms</span></b> in the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. All the
+atoms will vanish and then reappear with updated values. Now we can draw the
+structure assured that we are using the final result from the refinement. </p>
 
 <p class=MsoNormal>To build the structure model we want to show with PO<sub>4</sub>
-tetrahedra and balls for the F and <span class=SpellE>Ca</span> atoms in a unit
-cell box (the box should already be visible) do the following steps:</p>
+tetrahedra and balls for the F and Ca atoms in a unit cell box (the box should
+already be visible) do the following steps:</p>
 
 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2031 +2599 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 all the atoms in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Draw Atoms</span></b> tab by double clicking in upper left corner
@@ -2040 +2608 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Edit/Fill unit cell</span></b> from
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. The
 drawing will show the unit cell filled with atoms in positions equivalent to
 the original set and the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Draw Atoms</span></b> table will have all of them listed. The <span
 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Sym</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'> Op</span></b> column in the table
@@ -2064 +2632 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
 click on the column label <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Type</span></b>. A small dialog window will appear with a list of
 element types in this structure. Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>P</span></b> by checking the box and then press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. All the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>P</span></b> atoms will be bright
@@ -2082 +2650 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Edit/Fill CN-sphere</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. Each <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>P</span></b> atom will now have its
@@ -2097 +2665 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Repeat
 step 3 to select all the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>P</span></b> atoms again.</p>
@@ -2104 +2672 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Edit/Atom style</span></b> from the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. A small
 dialog bow will appear with a list of possible atom drawing styles. Notice the
-first one is blank; that will cause the atom to not be drawn. Select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>polyhedral</span></b> and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+first one is blank; that will cause the atom to not be drawn. Select <span
+class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>polyhedra</span></b></span>
+and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. Each <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>P</span></b> atom will be drawn as a
 brass colored polyhedron (with too many faces to be a tetrahedron because a
-nearby <span class=SpellE>Ca</span> atom was included – this will be fixed in a
-moment).</p>
+nearby Ca atom was included – this will be fixed in a moment).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Now
-<span class=GramE>do step</span> 3 yet again but this time select the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>O</span></b> atoms.</p>
+do step 3 yet again but this time select the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>O</span></b> <span class=GramE>atoms.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>8.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Edit/Atom style</span></b> and pick
 the blank entry and press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>OK</span></b>; the O atoms will vanish leaving some odd <span
-class=SpellE>polyhedra</span> and the <span class=SpellE>Ca</span> and F atoms.</p>
+class=SpellE>polyhedra</span> and the Ca and F atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Drawing Options</span></b> tab and
 change the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Bond
 search factor</span></b> to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>0.80</span></b> and press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Enter</span></b>; the odd <span class=SpellE>polyhedra</span> will
@@ -2167 +2734 @@
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>You
 can adjust the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>van
 der Waals scale</span></b> to make all the balls any size you desire.</p>
@@ -2174 +2741 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>If
-you don’t like the fact that both <span class=SpellE>Ca</span> and F are in a
-very similar green, you can change this. Select the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> tab, then do step 3
-selecting the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+you don’t like the fact that both Ca and F are in a very similar green, you can
+change this. Select the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Ca</span></b></span> atoms.</p>
+minor-latin'>Draw Atoms</span></b> tab, then do step 3 selecting the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Ca</span></b> atoms.</p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>12.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Edit/Atom color</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. A color
@@ -2196 +2762 @@
 – we will assume you are using a Windows7 machine). The dialog box looks like
 (I pressed <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Define
 Custom Colors</span></b>)</p>
@@ -2209 +2775 @@
 <p class=MsoNormal style='margin-left:.25in'>The steps for changing a color is
 to either a) choose your color by finding it in <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
 mso-bidi-theme-font:minor-latin'>Basic colors</span></b> and then press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b> or b) press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Define Custom Colors</span></b>, move
-the cross around on the spectrum display, set the vertical slider for the
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Define Custom Colors</span></b>, move the
+cross around on the spectrum display, set the vertical slider for the
 luminosity (<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>ColorSolid</span></b></span> will show the result), and then press
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. The drawing will now
 show that color for the atoms and the color will appear in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> table. If you
 don’t like your colors select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>Edit/Reset atom colors</span></b> to put them back to their
-default colors. In my drawing I’ve made the <span class=SpellE>Ca</span> atoms
-a medium gray</p>
+default colors. In my drawing I’ve made the Ca atoms a medium gray</p>
 
 <p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2244 +2809 @@
 src="Laboratory%20X_files/image022.png" v:shapes="Picture_x0020_288"><![endif]></span></p>
 
-<h2><span class=GramE>Step 10.</span> Calculate bond distances and angles</h2>
+<h2>Step 10. Calculate bond distances and angles</h2>
 
 <p class=MsoNormal>GSAS-II will compute all the distances and angles among all
@@ -2254 +2819 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>To
 start select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
-tab in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+tab in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Phases/<span class=SpellE>fap</span></span></b>.</p>
@@ -2263 +2828 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-the first <span class=SpellE>Ca</span> atoms by clicking on its row label (<span
-class=GramE>an</span> “<b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>0</span></b>”). Add to the selection the other <span class=SpellE>Ca</span>
-atom and the P atom in the same way with the Ctrl key down; all will be
-highlighted in dark gray.</p>
+the first Ca atoms by clicking on its row label (<span class=GramE>an</span> “<b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>0</span></b>”). Add to the selection
+the other Ca atom and the P atom in the same way with the Ctrl key down; all
+will be highlighted in blue.</p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Compute/Distances Angles</span></b>
-from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Compute/Show Distances &amp; Angles</span></b>
+from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> menu. A small dialog
@@ -2283 +2847 @@
 
 <p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_289" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:182.25pt;
+ id="Picture_x0020_290" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:182.25pt;
  height:193.5pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image023.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=243 height=258
-src="Laboratory%20X_files/image023.png" v:shapes="Picture_x0020_289"><![endif]></span></p>
+src="Laboratory%20X_files/image023.png" v:shapes="Picture_x0020_290"><![endif]></span></p>
 
 <p class=MsoNormal style='margin-left:.25in'>Here you have individual controls
@@ -2293 +2857 @@
 well as global search factors. Considering our experience with drawing the PO<sub>4</sub>
 tetrahedra the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Bond</span></b>
-and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Angle search factors</span></b> may be
 too large for this case. Change both to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>0.8</span></b> and press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>OK</span></b>. GSAS-II will then display on the console formatted
 tables of individual atom distances and angles with <span class=SpellE>esds</span>
-as appropriate for the two <span class=SpellE>Ca</span> atoms and the P atom.</p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<br>
-<span style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for
-phase <span class=SpellE>fap</span><br>
-********************************************************************************<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Space Group: P 63/m<br>
-<span style='mso-spacerun:yes'> </span>The lattice is <span class=SpellE>centrosymmetric</span>
-primitive hexagonal<br>
-<span style='mso-spacerun:yes'> </span>Multiplicity of a general site is 12<br>
-<span style='mso-spacerun:yes'> </span>The Laue symmetry is 6/m<br>
-<span style='mso-spacerun:yes'> </span>The inversion center is located at 0,0,0<br>
-<br>
-<span style='mso-spacerun:yes'> </span>The equivalent positions are:<br>
-<span style='mso-spacerun:yes'> </span>( 1)<span style='mso-spacerun:yes'>    
-</span>X ,<span style='mso-spacerun:yes'>    </span>Y ,<span
-style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 2)<span
-style='mso-spacerun:yes'>    </span>X-Y,<span style='mso-spacerun:yes'>   
-</span>X ,1/2+Z<br>
-<span style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
-</span>-Y ,<span style='mso-spacerun:yes'>   </span>X-Y,<span
-style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 4)<span
-style='mso-spacerun:yes'>    </span>-X ,<span style='mso-spacerun:yes'>  
-</span>-Y ,1/2+Z<br>
-<span style='mso-spacerun:yes'> </span>( 5)<span style='mso-spacerun:yes'>   
-</span>Y-X,<span style='mso-spacerun:yes'>   </span>-X ,<span
-style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 6)<span
-style='mso-spacerun:yes'>     </span>Y ,<span style='mso-spacerun:yes'>  
-</span>Y-X,1/2+Z<br>
-<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Unit cell: a = 9.37277(18) b = 9.372773
-c = 6.88639(4) alpha = 90. <span class=GramE>beta</span> = 90. <span
-class=GramE>gamma</span> = 120. Volume = 523.912(8)<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Distances &amp; angles <span
-class=GramE>for<span style='mso-spacerun:yes'>  </span>CA1</span><span
-style='mso-spacerun:yes'>  </span>at<span style='mso-spacerun:yes'>     
-</span>0.333333<span style='mso-spacerun:yes'>    </span>0.666667 0.00176(29)<br>
-********************************************************************************<br>
-<span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
-class=GramE>dist.</span><span style='mso-spacerun:yes'>       </span>CA1<span
+as appropriate for the two Ca atoms and the P atom.</p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase <span
+class=SpellE>fap</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Space Group: P 63/m<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The lattice is centrosymmetric primitive
+hexagonal<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The Laue symmetry is 6/m<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The lattice point group is 6/m<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Multiplicity of a general site is 12<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The inversion center is located at 0<span
+class=GramE>,0,0</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The equivalent positions are:<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 1</span>)<span
+style='mso-spacerun:yes'>     </span>X,<span style='mso-spacerun:yes'>    
+</span>Y,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 2)<span style='mso-spacerun:yes'>  
+</span>X-Y,<span style='mso-spacerun:yes'>  </span><span
+style='mso-spacerun:yes'>   </span>X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 3</span>)<span
+style='mso-spacerun:yes'>    </span>-Y,<span style='mso-spacerun:yes'>  
+</span>X-Y,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 4)<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 5</span>)<span
+style='mso-spacerun:yes'>   </span>Y-X,<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 6)<span style='mso-spacerun:yes'>    
+</span>Y,<span style='mso-spacerun:yes'>   </span>Y-X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Unit cell: a = 9.37189(19) b = 9.37189 c =
+6.88591(4) alpha = 90 beta = 90 gamma = 120 Volume = 523.777(8)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Distances &amp; angles for CA1 at<span
+style='mso-spacerun:yes'>      </span>0.33333<span
+style='mso-spacerun:yes'>     </span>0.66667<span style='mso-spacerun:yes'>    
+</span>0.00202<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span style='mso-spacerun:yes'>     
+</span>CA1<span style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
 style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
-style='mso-spacerun:yes'>          </span>O5<span
+style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
+style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
+style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>   </span>O6<span style='mso-spacerun:yes'>         
+</span><span class=SpellE>O6</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-2)<span
+style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
+</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-2)<span
+style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
+</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-6)<span
+style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
+</span><span class=GramE>[ 1</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-6)<span
+style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>5)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>2)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 1</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>4)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Distances &amp; angles for CA2 at<span
+style='mso-spacerun:yes'>      </span>0.24161<span
+style='mso-spacerun:yes'>     </span>0.99231<span style='mso-spacerun:yes'>    
+</span>0.25<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
+style='mso-spacerun:yes'>       </span>F4<span
+style='mso-spacerun:yes'>          </span>O6<span
+style='mso-spacerun:yes'>          </span>O7<span
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3012(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>   </span>2.350(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-3)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Distances &amp; angles for P3 at<span
+style='mso-spacerun:yes'>      </span>0.39715<span
+style='mso-spacerun:yes'>     </span>0.36781<span style='mso-spacerun:yes'>    
+</span>0.25<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
+style='mso-spacerun:yes'>       </span>O5<span
+style='mso-spacerun:yes'>          </span>O6<span
+style='mso-spacerun:yes'>          </span>O7<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.548(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.569(4)<span style='mso-spacerun:yes'>  
+</span>110.37(23)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<span
+style='mso-spacerun:yes'>  </span>108.74(23)<o:p></o:p></span></p>
+
+<p class=MsoNormal>There is probably too many bonds shown for the Ca1 atom and
+no angles given; you can repeat the calculation with somewhat smaller Ca radii
+to fix this. Setting the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+minor-latin'>Bond</span></b> and <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+minor-latin'>Angle</span></b> Ca radii to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>2.1</span></b> and <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>1.9</span></b>, respectively, and
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Angle search
+factor</span></b> to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>0.95</span></b> gave</p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase <span
+class=SpellE>fap</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Space Group: P 63/m<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The lattice is centrosymmetric primitive
+hexagonal<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The Laue symmetry is 6/m<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The lattice point group is 6/m<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Multiplicity of a general site is 12<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The inversion center is located at 0<span
+class=GramE>,0,0</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>The equivalent positions are:<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 1</span>)<span
+style='mso-spacerun:yes'>     </span>X,<span style='mso-spacerun:yes'>    
+</span>Y,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 2)<span style='mso-spacerun:yes'>  
+</span>X-Y,<span style='mso-spacerun:yes'>     </span>X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 3</span>)<span
+style='mso-spacerun:yes'>    </span>-Y,<span style='mso-spacerun:yes'>  
+</span>X-Y,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 4)<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 5</span>)<span
+style='mso-spacerun:yes'>   </span>Y-X,<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 6)<span style='mso-spacerun:yes'>    
+</span>Y,<span style='mso-spacerun:yes'>   </span>Y-X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Unit cell: a = 9.37189(19) b = 9.37189 c =
+6.88591(4) alpha = 90 beta = 90 gamma = 120 Volume = 523.777(8)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Distances &amp; angles for CA1 at<span
+style='mso-spacerun:yes'>      </span>0.33333<span
+style='mso-spacerun:yes'>     </span>0.66667<span style='mso-spacerun:yes'>    
+</span>0.00202<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
+style='mso-spacerun:yes'>       </span>O5<span
 style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
 style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
 style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O6</span><br>
-<span style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-2)<span style='mso-spacerun:yes'> 
-</span>3.4674(30)<br>
-<span style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-2)<span style='mso-spacerun:yes'> 
-</span>3.4190(14)<span style='mso-spacerun:yes'>    </span>180.000<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.3872(28)<span style='mso-spacerun:yes'>   </span>135.73(14)<span
-style='mso-spacerun:yes'>  </span>44.27(14)<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'> 
-</span>2.3872(3)<span style='mso-spacerun:yes'>    </span>135.73(14)<span
-style='mso-spacerun:yes'>  </span>44.27(14)<span style='mso-spacerun:yes'>  
-</span>74.38(21)<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>5)<span style='mso-spacerun:yes'> 
-</span>2.3872(3)<span style='mso-spacerun:yes'>    </span>135.73(14)<span
-style='mso-spacerun:yes'>  </span>44.27(14)<span style='mso-spacerun:yes'>  
-</span>74.38(21)<span style='mso-spacerun:yes'>   </span>74.38(21)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 0-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>2)<span style='mso-spacerun:yes'> 
-</span>2.4603(30)<span style='mso-spacerun:yes'>   </span>45.20(15)<span
-style='mso-spacerun:yes'>   </span>134.80(15)<span style='mso-spacerun:yes'> 
-</span>124.33(22)<span style='mso-spacerun:yes'>  </span>154.25(23)<span
-style='mso-spacerun:yes'>  </span>92.82(17)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>4)<span style='mso-spacerun:yes'>  
-</span>2.460(4)<span style='mso-spacerun:yes'>    </span>45.20(15)<span
-style='mso-spacerun:yes'>   </span>134.80(15)<span style='mso-spacerun:yes'> 
-</span>92.81(17)<span style='mso-spacerun:yes'>   </span>124.33(22)<span
-style='mso-spacerun:yes'>  </span>154.25(23)<span style='mso-spacerun:yes'> 
-</span>75.83(23)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'>  
-</span>2.460(4)<span style='mso-spacerun:yes'>    </span>45.20(15)<span
-style='mso-spacerun:yes'>   </span>134.80(15)<span style='mso-spacerun:yes'> 
-</span>154.25(23)<span style='mso-spacerun:yes'>  </span>92.82(17)<span
-style='mso-spacerun:yes'>   </span>124.33(22)<span style='mso-spacerun:yes'> 
-</span>75.83(23)<span style='mso-spacerun:yes'>   </span>75.83(23)<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Distances &amp; angles for<span
-style='mso-spacerun:yes'>  </span>CA2<span style='mso-spacerun:yes'> 
-</span>at<span style='mso-spacerun:yes'>   </span>0.24157(15) 0.99219(19)<span
-style='mso-spacerun:yes'>        </span>0.25<br>
-********************************************************************************<br>
-<span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
-class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>F4<span
-style='mso-spacerun:yes'>          </span>O6<span
+style='mso-spacerun:yes'>          </span><span class=SpellE>O6</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<span style='mso-spacerun:yes'> 
+</span>74.44(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>5)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<span style='mso-spacerun:yes'> 
+</span>74.44(11)<span style='mso-spacerun:yes'>   </span>74.44(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>2)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'> 
+</span>124.40(11)<span style='mso-spacerun:yes'>  </span>154.16(12)<span
+style='mso-spacerun:yes'>   </span>92.77(9)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 1</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>4)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'>  
+</span>92.77(9)<span style='mso-spacerun:yes'>   </span>124.40(11)<span
+style='mso-spacerun:yes'>  </span>154.16(12)<span style='mso-spacerun:yes'> 
+</span>75.80(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1-1] <span
+style='mso-spacerun:yes'> </span>+(<span style='mso-spacerun:yes'>  
+</span>6)<span style='mso-spacerun:yes'>  </span>2.4620(31)<span
+style='mso-spacerun:yes'>  </span>154.16(12)<span style='mso-spacerun:yes'>  
+</span>92.77(9)<span style='mso-spacerun:yes'>   </span>124.40(11)<span
+style='mso-spacerun:yes'>  </span>75.80(12)<span style='mso-spacerun:yes'>  
+</span>75.80(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Distances &amp; angles for CA2 at<span
+style='mso-spacerun:yes'>      </span>0.24161<span
+style='mso-spacerun:yes'>     </span>0.99231<span style='mso-spacerun:yes'>    
+</span>0.25<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>  </span><span
+style='mso-spacerun:yes'>    </span>dist.<span style='mso-spacerun:yes'>      
+</span>F4<span style='mso-spacerun:yes'>          </span>O6<span
 style='mso-spacerun:yes'>          </span>O7<span
 style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><br>
-<span style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.3016(11)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'>  
-</span>2.355(4)<span style='mso-spacerun:yes'>    </span>152.08(23)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.5131(29)<span style='mso-spacerun:yes'>   </span>81.13(14)<span
-style='mso-spacerun:yes'>   </span>74.61(21)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
-</span>2.3441(29)<span style='mso-spacerun:yes'>   </span>102.87(15)<span
-style='mso-spacerun:yes'>  </span>85.36(16)<span style='mso-spacerun:yes'>  
-</span>135.16(23)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-3)<span style='mso-spacerun:yes'> 
-</span>2.3441(26)<span style='mso-spacerun:yes'>   </span>102.87(15)<span
-style='mso-spacerun:yes'>  </span>85.36(16)<span style='mso-spacerun:yes'>  
-</span>77.52(11)<span style='mso-spacerun:yes'>   </span>141.11(28)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>2.5131(25)<span style='mso-spacerun:yes'>   </span>81.13(14)<span
-style='mso-spacerun:yes'>   </span>74.61(21)<span style='mso-spacerun:yes'>  
-</span>58.75(24)<span style='mso-spacerun:yes'>   </span>77.52(11)<span
-style='mso-spacerun:yes'>   </span>135.16(23)<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Distances &amp; angles for<span
-style='mso-spacerun:yes'>  </span>P3<span style='mso-spacerun:yes'> 
-</span>at<span style='mso-spacerun:yes'>   </span>0.39688(20) 0.36762(19)<span
-style='mso-spacerun:yes'>    </span><span
-style='mso-spacerun:yes'>    </span>0.25<br>
-********************************************************************************<br>
-<span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
-class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>O5<span
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3012(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>   </span>2.350(4)<span style='mso-spacerun:yes'>  
+</span>152.07(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<span style='mso-spacerun:yes'>  
+</span>81.10(7)<span style='mso-spacerun:yes'>   </span>74.63(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<span style='mso-spacerun:yes'> 
+</span>102.85(8)<span style='mso-spacerun:yes'>    </span>85.36(8)<span
+style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-3)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<span style='mso-spacerun:yes'> 
+</span>102.85(8)<span style='mso-spacerun:yes'>    </span>85.36(8)<span
+style='mso-spacerun:yes'>    </span>77.50(6)<span style='mso-spacerun:yes'>  
+</span>141.17(14)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<span style='mso-spacerun:yes'>  
+</span>81.10(7)<span style='mso-spacerun:yes'>   </span>74.63(11)<span
+style='mso-spacerun:yes'>   </span>58.76(12)<span style='mso-spacerun:yes'>   
+</span>77.50(6)<span style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>Distances &amp; angles for P3 at<span
+style='mso-spacerun:yes'>      </span>0.39715<span
+style='mso-spacerun:yes'>     </span>0.36781<span style='mso-spacerun:yes'>    
+</span>0.25<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
+style='mso-spacerun:yes'>       </span>O5<span
 style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span>O7<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'>  
-</span>1.548(4)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>1.5668(3)<span style='mso-spacerun:yes'>     </span>110.3(5)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>1.5161(26)<span style='mso-spacerun:yes'>   </span>110.23(29)<span
-style='mso-spacerun:yes'>  </span>108.59(29)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>1.5161(24)<span style='mso-spacerun:yes'>   </span>110.23(29)<span
-style='mso-spacerun:yes'>  </span>108.59(29)<span style='mso-spacerun:yes'>  
-</span>108.8(4)<o:p></o:p></span></p>
-
-<p class=MsoNormal>There is probably too many bonds shown for the Ca1 atom; you
-can repeat the calculation with somewhat smaller <span class=SpellE>Ca</span>
-radii to fix this. Setting the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Bond</span></b> and <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Angle</span></b> <span class=SpellE>Ca</span> radii to 2.1 and
-1.9, respectively, gave</p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<br>
-<span style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for
-phase <span class=SpellE>fap</span><br>
-********************************************************************************<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Space Group: P 63/m<br>
-<span style='mso-spacerun:yes'> </span>The lattice is <span class=SpellE>centrosymmetric</span>
-primitive hexagonal<br>
-<span style='mso-spacerun:yes'> </span>Multiplicity of a general site is 12<br>
-<span style='mso-spacerun:yes'> </span>The Laue symmetry is 6/m<br>
-<span style='mso-spacerun:yes'> </span>The inversion center is located at 0,0,0<br>
-<br>
-<span style='mso-spacerun:yes'> </span>The equivalent positions are:<br>
-<span style='mso-spacerun:yes'> </span>( 1)<span style='mso-spacerun:yes'>    
-</span>X ,<span style='mso-spacerun:yes'>    </span>Y ,<span
-style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 2)<span
-style='mso-spacerun:yes'>    </span>X-Y,<span style='mso-spacerun:yes'>   
-</span>X ,1/2+Z<br>
-<span style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
-</span>-Y ,<span style='mso-spacerun:yes'>   </span>X-Y,<span
-style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 4)<span
-style='mso-spacerun:yes'>    </span>-X ,<span style='mso-spacerun:yes'>  
-</span>-Y ,1/2+Z<br>
-<span style='mso-spacerun:yes'> </span>( 5)<span style='mso-spacerun:yes'>   
-</span>Y-X,<span style='mso-spacerun:yes'>   </span>-X ,<span
-style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 6)<span
-style='mso-spacerun:yes'>     </span>Y ,<span style='mso-spacerun:yes'>  
-</span>Y-X,1/2+Z<br>
-<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Unit cell: a = 9.37277(18) b = 9.372773
-c = 6.88639(4) alpha = 90. <span class=GramE>beta</span> = 90. <span
-class=GramE>gamma</span> = 120. Volume = 523.912(8)<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Distances &amp; angles <span
-class=GramE>for<span style='mso-spacerun:yes'>  </span>CA1</span><span
-style='mso-spacerun:yes'>  </span>at<span style='mso-spacerun:yes'>     
-</span>0.333333<span style='mso-spacerun:yes'>    </span>0.666667 0.00176(29)<br>
-********************************************************************************<br>
-<span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
-class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>O5<span
-style='mso-spacerun:yes'>    </span><span
-style='mso-spacerun:yes'>      </span><span class=SpellE>O5</span><span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
-style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O6</span><br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.3872(28)<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'> 
-</span>2.3872(3)<span style='mso-spacerun:yes'>    </span>74.38(21)<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>5)<span style='mso-spacerun:yes'> 
-</span>2.3872(3)<span style='mso-spacerun:yes'>    </span>74.38(21)<span
-style='mso-spacerun:yes'>   </span>74.38(21)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 0-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>2)<span style='mso-spacerun:yes'> 
-</span>2.4603(30)<span style='mso-spacerun:yes'>   </span>124.33(22)<span
-style='mso-spacerun:yes'>  </span>154.25(23)<span style='mso-spacerun:yes'> 
-</span>92.82(17)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>4)<span style='mso-spacerun:yes'>  
-</span>2.460(4)<span style='mso-spacerun:yes'>    </span>92.81(17)<span
-style='mso-spacerun:yes'>   </span>124.33(22)<span style='mso-spacerun:yes'> 
-</span>154.25(23)<span style='mso-spacerun:yes'>  </span>75.83(23)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'>  
-</span>2.460(4)<span style='mso-spacerun:yes'>    </span>154.25(23)<span
-style='mso-spacerun:yes'>  </span>92.82(17)<span style='mso-spacerun:yes'>  
-</span>124.33(22)<span style='mso-spacerun:yes'>  </span>75.83(23)<span
-style='mso-spacerun:yes'>   </span>75.83(23)<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Distances &amp; angles for<span
-style='mso-spacerun:yes'>  </span>CA2<span style='mso-spacerun:yes'> 
-</span>at<span style='mso-spacerun:yes'>   </span>0.24157(15) 0.99219(19)<span
-style='mso-spacerun:yes'>        </span>0.25<br>
-********************************************************************************<br>
-<span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
-class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>F4<span
-style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span>O7<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><br>
-<span style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.3016(11)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'>  
-</span>2.355(4)<span style='mso-spacerun:yes'>    </span>152.08(23)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.5131(29)<span style='mso-spacerun:yes'>   </span>81.13(14)<span
-style='mso-spacerun:yes'>   </span>74.61(21)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
-</span>2.3441(29)<span style='mso-spacerun:yes'>   </span>102.87(15)<span
-style='mso-spacerun:yes'>  </span>85.36(16)<span style='mso-spacerun:yes'>  
-</span>135.16(23)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-3)<span style='mso-spacerun:yes'> 
-</span>2.3441(26)<span style='mso-spacerun:yes'>   </span>102.87(15)<span
-style='mso-spacerun:yes'>  </span>85.36(16)<span style='mso-spacerun:yes'>  
-</span>77.52(11)<span style='mso-spacerun:yes'>   </span>141.11(28)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>2.5131(25)<span style='mso-spacerun:yes'>   </span>81.13(14)<span
-style='mso-spacerun:yes'>   </span>74.61(21)<span style='mso-spacerun:yes'>  
-</span>58.75(24)<span style='mso-spacerun:yes'>   </span>77.52(11)<span
-style='mso-spacerun:yes'>   </span>135.16(23)<br>
-<br>
-<span style='mso-spacerun:yes'> </span>Distances &amp; angles for<span
-style='mso-spacerun:yes'>  </span>P3<span style='mso-spacerun:yes'> 
-</span>at<span style='mso-spacerun:yes'>   </span>0.39688(20) 0.36762(19)<span
-style='mso-spacerun:yes'>        </span>0.25<br>
-********************************************************************************<br>
-<span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
-class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>O5<span
-style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span>O7<br>
-<span style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'>  
-</span>1.548(4)<br>
-<span style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>1.5668(3)<span style='mso-spacerun:yes'>     </span>110.3(5)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>1.5161(26)<span style='mso-spacerun:yes'>   </span>110.23(29)<span
-style='mso-spacerun:yes'>  </span>108.59(29)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>1.5161(24)<span style='mso-spacerun:yes'>   </span>110.23(29)<span
-style='mso-spacerun:yes'>  </span>108.59(29)<span style='mso-spacerun:yes'>  
-</span>108.8(4)<o:p></o:p></span></p>
-
-<p class=MsoNormal><span class=GramE>which</span> is probably more reasonable.</p>
+style='mso-spacerun:yes'>          </span>O7<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.548(4)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.569(4)<span style='mso-spacerun:yes'>  
+</span>110.37(23)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<span
+style='mso-spacerun:yes'>  </span>108.74(23)<o:p></o:p></span></p>
+
+<p class=MsoNormal>which is probably more reasonable.</p>
 
 <p class=MsoNormal>This concludes this tutorial for Rietveld refinement of <span

Tutorials/LabData/Laboratory X_files/filelist.xml

@@ -20 +20 @@
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  <o:File HRef="image017.png"/>
- <o:File HRef="image018.png"/>
+ <o:File HRef="image018.jpg"/>
  <o:File HRef="image019.png"/>
  <o:File HRef="image020.png"/>