Changeset 3690


Ignore:
Timestamp:
Oct 22, 2018 12:18:32 PM (3 years ago)
Author:
vondreele
Message:

update tutorial

Location:
Tutorials/Magnetic-II
Files:
59 added
2 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/Magnetic-II/Magnetic-II.htm

    r3640 r3690  
    2323  <o:Author>vondreele</o:Author>
    2424  <o:LastAuthor>vondreele</o:LastAuthor>
    25   <o:Revision>13</o:Revision>
    26   <o:TotalTime>1525</o:TotalTime>
     25  <o:Revision>14</o:Revision>
     26  <o:TotalTime>1622</o:TotalTime>
    2727  <o:Created>2018-09-19T19:30:00Z</o:Created>
    28   <o:LastSaved>2018-10-03T19:08:00Z</o:LastSaved>
     28  <o:LastSaved>2018-10-22T17:16:00Z</o:LastSaved>
    2929  <o:Pages>1</o:Pages>
    30   <o:Words>3001</o:Words>
    31   <o:Characters>17111</o:Characters>
     30  <o:Words>2899</o:Words>
     31  <o:Characters>16525</o:Characters>
    3232  <o:Company>Argonne National Laboratory</o:Company>
    33   <o:Lines>142</o:Lines>
    34   <o:Paragraphs>40</o:Paragraphs>
    35   <o:CharactersWithSpaces>20072</o:CharactersWithSpaces>
     33  <o:Lines>137</o:Lines>
     34  <o:Paragraphs>38</o:Paragraphs>
     35  <o:CharactersWithSpaces>19386</o:CharactersWithSpaces>
    3636  <o:Version>16.00</o:Version>
    3737 </o:DocumentProperties>
     
    13151315<p class=MsoNormal>In this tutorials, we continue to show how GSAS-II makes use
    13161316of the Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
    1317 <i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
    1318 k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
    1319 style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
    1320 class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
    1321 class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
    1322 Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
    1323 to determine magnetic crystal structures. If you have not done so already, you
    1324 may wish to do the Simple Magnetic Structures tutorial first as it contains
    1325 some background information that will not be covered here as well as the
    1326 Magnetic Structures-I tutorial. To make this work, your computer must have an
    1327 internet connection for GSAS-II to access this site. (We will supply the
    1328 project file that results after k-SUBGROUPSMAG is called in case you lack
    1329 internet access)</p>
     1317<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i>
     1318routine k-SUBGROUPSMAG (<a
     1319href="http://iopscience.iop.org/0953-8984/28/28/286001"><span style='font-size:
     132010.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span class=SpellE>Gallego</span>,
     1321SV; <span class=SpellE>Elcoro</span>, L; <span class=SpellE>Tasci</span>, E and
     1322<span class=SpellE>Aroyo</span>, MI, <i>J. of Phys.: <span class=SpellE>Condens</span>
     1323Matter</i> (2016), <b>28</b>:28601</span></a>) to determine magnetic crystal
     1324structures. If you have not done so already, you may wish to do the Simple
     1325Magnetic Structures tutorial first as it contains some background information
     1326that will not be covered here as well as the Magnetic Structures-I tutorial. To
     1327make this work, your computer must have an internet connection for GSAS-II to
     1328access this site. (We will supply the project file that results after
     1329k-SUBGROUPSMAG is called in case you lack internet access)</p>
    13301330
    13311331<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    14531453 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
    14541454 <o:lock v:ext="edit" aspectratio="t"/>
    1455 </v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1063" type="#_x0000_t75"
     1455</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1060" type="#_x0000_t75"
    14561456 style='width:339.75pt;height:222.75pt;visibility:visible;mso-wrap-style:square'>
    14571457 <v:imagedata src="Magnetic-II_files/image001.png" o:title=""/>
    14581458</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=297
    1459 src="Magnetic-II_files/image007.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
     1459src="Magnetic-II_files/image002.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
    14601460
    14611461<p class=MsoNormal style='text-indent:.25in'><span class=GramE>and</span> the
     
    14641464<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto'><span
    14651465style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2"
    1466  o:spid="_x0000_i1062" type="#_x0000_t75" style='width:341.25pt;height:348.75pt;
     1466 o:spid="_x0000_i1059" type="#_x0000_t75" style='width:341.25pt;height:348.75pt;
    14671467 visibility:visible;mso-wrap-style:square'>
    14681468 <v:imagedata src="Magnetic-II_files/image003.png" o:title=""/>
    14691469</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=465
    1470 src="Magnetic-II_files/image008.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
     1470src="Magnetic-II_files/image004.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
    14711471
    14721472<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>We
     
    15221522mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    15231523minor-latin'>Yes</span></b></span> button to proceed. You will get the
    1524 opportunity to change the phase name next (I took out the spaces!); press <b
     1524opportunity to change the phase name next (I changed it to Cr2WO6!); press <b
    15251525style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    15261526mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     
    15401540minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
    15411541<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_3"
    1542  o:spid="_x0000_i1061" type="#_x0000_t75" style='width:342.75pt;height:177pt;
     1542 o:spid="_x0000_i1058" type="#_x0000_t75" style='width:342.75pt;height:177pt;
    15431543 visibility:visible;mso-wrap-style:square'>
    15441544 <v:imagedata src="Magnetic-II_files/image005.png" o:title=""/>
    15451545</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=236
    1546 src="Magnetic-II_files/image009.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
     1546src="Magnetic-II_files/image006.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
    15471547
    15481548<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    15601560refinement proceeded quickly. The fit is quite poor (<span class=SpellE>wR</span>
    15611561~46%), mostly from bad peak positions. This is a combination of lattice
    1562 parameters being smaller at 150K vs room temperature and sample placement on
    1563 the goniometer. Find the <b style='mso-bidi-font-weight:normal'><span
     1562parameters being smaller at 150K vs room temperature and sample placement on the
     1563goniometer. Find the <b style='mso-bidi-font-weight:normal'><span
    15641564style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    15651565mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
     
    16661666minor-latin'>GSAS-II data tree</span></b> window will have several entries<br>
    16671667<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
    1668  o:spid="_x0000_i1060" type="#_x0000_t75" style='width:324.75pt;height:204.75pt;
     1668 o:spid="_x0000_i1057" type="#_x0000_t75" style='width:324.75pt;height:204.75pt;
    16691669 visibility:visible;mso-wrap-style:square'>
    16701670 <v:imagedata src="Magnetic-II_files/image010.png" o:title=""/>
    16711671</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=273
    1672 src="Magnetic-II_files/image011.png" v:shapes="Picture_x0020_4"><![endif]></span><br>
     1672src="Magnetic-II_files/image022.png" v:shapes="Picture_x0020_4"><![endif]></span><br>
    16731673and the plot window will show the powder pattern<br>
    16741674<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5"
    1675  o:spid="_x0000_i1059" type="#_x0000_t75" style='width:325.5pt;height:333pt;
     1675 o:spid="_x0000_i1056" type="#_x0000_t75" style='width:325.5pt;height:333pt;
    16761676 visibility:visible;mso-wrap-style:square'>
    16771677 <v:imagedata src="Magnetic-II_files/image012.png" o:title=""/>
    16781678</v:shape><![endif]--><![if !vml]><img border=0 width=434 height=444
    1679 src="Magnetic-II_files/image013.png" v:shapes="Picture_x0020_5"><![endif]></span><br>
     1679src="Magnetic-II_files/image025.png" v:shapes="Picture_x0020_5"><![endif]></span><br>
    16801680<span class=GramE>We</span> will use the default limits.</p>
    16811681
     
    17311731The General tab for the phase is shown next<br>
    17321732<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
    1733  o:spid="_x0000_i1058" type="#_x0000_t75" style='width:342.75pt;height:3in;
     1733 o:spid="_x0000_i1055" type="#_x0000_t75" style='width:342.75pt;height:3in;
    17341734 visibility:visible;mso-wrap-style:square'>
    17351735 <v:imagedata src="Magnetic-II_files/image014.png" o:title=""/>
    17361736</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=288
    1737 src="Magnetic-II_files/image015.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
     1737src="Magnetic-II_files/image027.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
    17381738
    17391739<h2>Step 3. Check powder pattern indexing</h2>
     
    17521752histogram (begins with PWDR); the Indexing controls will be shown<br>
    17531753<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
    1754  o:spid="_x0000_i1057" type="#_x0000_t75" style='width:342.75pt;height:117.75pt;
     1754 o:spid="_x0000_i1054" type="#_x0000_t75" style='width:342.75pt;height:117.75pt;
    17551755 visibility:visible;mso-wrap-style:square'>
    17561756 <v:imagedata src="Magnetic-II_files/image016.png" o:title=""/>
    17571757</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=157
    1758 src="Magnetic-II_files/image017.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
     1758src="Magnetic-II_files/image031.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
    17591759
    17601760<p class=MsoNormal style='margin-left:.25in'>This can be use lattice parameters
     
    17851785and the Indexing controls will be change<br>
    17861786<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
    1787  o:spid="_x0000_i1056" type="#_x0000_t75" style='width:342pt;height:116.25pt;
     1787 o:spid="_x0000_i1053" type="#_x0000_t75" style='width:342pt;height:116.25pt;
    17881788 visibility:visible;mso-wrap-style:square'>
    17891789 <v:imagedata src="Magnetic-II_files/image018.png" o:title=""/>
    17901790</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=155
    1791 src="Magnetic-II_files/image019.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
     1791src="Magnetic-II_files/image032.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
    17921792
    17931793<p class=MsoNormal style='margin-left:.25in'><span class=GramE>showing</span>
     
    17981798style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    17991799mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P 4/m <span
    1800 class=SpellE>m</span> <span class=SpellE>m</span></span></b>; the plot will
    1801 change showing the new lines.</p>
     1800class=SpellE>m</span> <span class=SpellE>m</span></span></b>; the plot will change
     1801showing the new lines.</p>
    18021802
    18031803<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1804  id="Picture_x0020_10" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:340.5pt;
     1804 id="Picture_x0020_10" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:340.5pt;
    18051805 height:348.75pt;visibility:visible;mso-wrap-style:square'>
    18061806 <v:imagedata src="Magnetic-II_files/image020.png" o:title=""/>
    18071807</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=465
    1808 src="Magnetic-II_files/image021.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
     1808src="Magnetic-II_files/image033.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
    18091809
    18101810<p class=MsoNormal style='margin-left:.25in'>Notice that every peak (apart from
     
    18331833<h2>Step 4. Run k-SUBGROUPSMAG</h2>
    18341834
    1835 <p class=MsoNormal>In this next step, you will be accessing the Bilbao crystallographic
    1836 server so you must be connected to the internet. In the Cell Index/Refine menu
    1837 select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    1838 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    1839 minor-latin'>Run k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
    1840 
    1841 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1842  id="_x0000_i1054" type="#_x0000_t75" style='width:182.25pt;height:299.25pt;
     1835<p class=MsoNormal>In this next step, you will be accessing the Bilbao
     1836crystallographic server so you must be connected to the internet. In the Cell
     1837Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
     1838style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1839mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
     1840k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
     1841
     1842<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1843 id="_x0000_i1051" type="#_x0000_t75" style='width:207.75pt;height:225.75pt;
    18431844 visibility:visible;mso-wrap-style:square'>
    1844  <v:imagedata src="Magnetic-II_files/image024.png" o:title=""/>
    1845 </v:shape><![endif]--><![if !vml]><img border=0 width=243 height=399
    1846 src="Magnetic-II_files/image024.png" v:shapes="_x0000_i1054"><![endif]></span></p>
     1845 <v:imagedata src="Magnetic-II_files/image034.png" o:title=""/>
     1846</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
     1847src="Magnetic-II_files/image034.png" v:shapes="_x0000_i1051"><![endif]></span></p>
    18471848
    18481849<p class=MsoNormal>These are the controls for running the Bilbao routine. The
     
    18641865
    18651866<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1866  id="Picture_x0020_11" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:357.75pt;
     1867 id="Picture_x0020_11" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:357.75pt;
    18671868 height:123.75pt;visibility:visible;mso-wrap-style:square'>
    18681869 <v:imagedata src="Magnetic-II_files/image023.png" o:title=""/>
    18691870</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
    1870 src="Magnetic-II_files/image026.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
     1871src="Magnetic-II_files/image035.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    18711872
    18721873<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
     
    18941895
    18951896<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1896  id="_x0000_i1052" type="#_x0000_t75" style='width:359.25pt;height:319.5pt;
    1897  visibility:visible;mso-wrap-style:square'>
     1897 id="Picture_x0020_12" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:359.25pt;
     1898 height:319.5pt;visibility:visible;mso-wrap-style:square'>
    18981899 <v:imagedata src="Magnetic-II_files/image028.png" o:title=""/>
    18991900</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=426
    1900 src="Magnetic-II_files/image030.png" v:shapes="_x0000_i1052"><![endif]></span></p>
     1901src="Magnetic-II_files/image036.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
    19011902
    19021903<p class=MsoNormal>The table shows all the magnetic space groups that are
    19031904possible starting with P 4<sub>2</sub>/m n m and zero propagation vector; this
    1904 is noted in the table heading. Notice that it goes all the way to a triclinic
    1905 P1 magnetic space group; you probably will never need to go that far to find a
     1905is noted in the table heading. Notice that it goes all the way to a triclinic P1
     1906magnetic space group; you probably will never need to go that far to find a
    19061907suitable magnetic space group. The ones marked ‘Keep’ have a possibly magnetic
    19071908Cr atom based on the magnetic site symmetries of the transformed atom positions
     
    19241925class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
    19251926"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    1926 minor-latin;mso-bidi-theme-font:minor-latin'>Keep</span></b>ed</span> by only
    1927 choosing those with just one magnetic Cr (see the <span class=SpellE>Uniq</span>
    1928 column for these). Double <span class=SpellE>ckick</span> the Keep column
    1929 heading; a small popup dialog will appear</p>
    1930 
    1931 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1932  id="Picture_x0020_41" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:168pt;
     1927minor-latin;mso-bidi-theme-font:minor-latin'>Keep</span></b>ed</span> by only choosing
     1928those with just one magnetic Cr (see the <span class=SpellE>Uniq</span> column
     1929for these). Double click the Keep column heading; a small popup dialog will
     1930appear</p>
     1931
     1932<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1933 id="Picture_x0020_41" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:168pt;
    19331934 height:110.25pt;visibility:visible;mso-wrap-style:square'>
    1934  <v:imagedata src="Magnetic-II_files/image061.png" o:title=""/>
     1935 <v:imagedata src="Magnetic-II_files/image037.png" o:title=""/>
    19351936</v:shape><![endif]--><![if !vml]><img border=0 width=224 height=147
    1936 src="Magnetic-II_files/image061.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
    1937 
    1938 <p class=MsoNormal>Select Cr+3 from the test for mag atoms item and enter 1 for
    1939 max unique (don’t forget to press Enter for this one; then press Ok. The Unit
    1940 Cell List will be redrawn</p>
    1941 
    1942 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1943  id="Picture_x0020_43" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:358.5pt;
    1944  height:318.75pt;visibility:visible;mso-wrap-style:square'>
     1937src="Magnetic-II_files/image037.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
     1938
     1939<p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
     1940style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1941mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1</span></b>
     1942for max unique and select <b style='mso-bidi-font-weight:normal'><span
     1943style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1944mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr+3</span></b>
     1945from the test for mag atoms item; then press <b style='mso-bidi-font-weight:
     1946normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     1947minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>.
     1948The Unit Cell List will be redrawn</p>
     1949
     1950<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1951 id="_x0000_i1047" type="#_x0000_t75" style='width:358.5pt;height:318.75pt;
     1952 visibility:visible;mso-wrap-style:square'>
    19451953 <v:imagedata src="Magnetic-II_files/image062.png" o:title=""/>
    19461954</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=425
    1947 src="Magnetic-II_files/image063.png" v:shapes="Picture_x0020_43"><![endif]></span></p>
    1948 
    1949 <p class=MsoNormal>Now do the Try of each one marked Keep; there are fewer than
    1950 before since only those with 1 <span class=SpellE>Uniq</span> are marked Keep.</p>
     1955src="Magnetic-II_files/image038.png" v:shapes="_x0000_i1047"><![endif]></span></p>
     1956
     1957<p class=MsoNormal>Now do the <b style='mso-bidi-font-weight:normal'><span
     1958style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     1959mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
     1960of each one marked Keep; there are fewer than before since only those with 1 <span
     1961class=SpellE>Uniq</span> are marked Keep.</p>
    19511962
    19521963<p class=MsoNormal>There are no tetragonal ones and only 4 orthorhombic ones.
     
    19661977
    19671978<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1968  id="Picture_x0020_15" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:357.75pt;
     1979 id="Picture_x0020_15" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:357.75pt;
    19691980 height:226.5pt;visibility:visible;mso-wrap-style:square'>
    19701981 <v:imagedata src="Magnetic-II_files/image029.png" o:title=""/>
    19711982</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=302
    1972 src="Magnetic-II_files/image064.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
     1983src="Magnetic-II_files/image039.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
    19731984
    19741985<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
    19751986style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    19761987mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
    1977 magnetic phase</span></b>; that will make a small popup dialog</p>
    1978 
    1979 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1980  id="Picture_x0020_44" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:195pt;
     1988magnetic/subgroup phase</span></b>; that will make a small popup dialog</p>
     1989
     1990<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1991 id="Picture_x0020_44" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:195pt;
    19811992 height:200.25pt;visibility:visible;mso-wrap-style:square'>
    19821993 <v:imagedata src="Magnetic-II_files/image065.png" o:title=""/>
     
    19932004
    19942005<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1995  id="Picture_x0020_45" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:264.75pt;
     2006 id="Picture_x0020_45" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:264.75pt;
    19962007 height:92.25pt;visibility:visible;mso-wrap-style:square'>
    19972008 <v:imagedata src="Magnetic-II_files/image066.png" o:title=""/>
     
    20122023
    20132024<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2014  id="Picture_x0020_18" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:362.25pt;
     2025 id="Picture_x0020_18" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:362.25pt;
    20152026 height:228.75pt;visibility:visible;mso-wrap-style:square'>
    20162027 <v:imagedata src="Magnetic-II_files/image043.png" o:title=""/>
    20172028</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=305
    2018 src="Magnetic-II_files/image067.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
     2029src="Magnetic-II_files/image040.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
    20192030
    20202031<p class=MsoNormal>Now select the Atoms tab for the magnetic phase</p>
    20212032
    20222033<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2023  id="Picture_x0020_19" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:362.25pt;
     2034 id="Picture_x0020_19" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:362.25pt;
    20242035 height:75pt;visibility:visible;mso-wrap-style:square'>
    20252036 <v:imagedata src="Magnetic-II_files/image045.png" o:title=""/>
    20262037</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=100
    2027 src="Magnetic-II_files/image068.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     2038src="Magnetic-II_files/image041.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
    20282039
    20292040<p class=MsoNormal>You’ll see that both <span class=SpellE><b style='mso-bidi-font-weight:
     
    20562067
    20572068<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2058  id="Picture_x0020_20" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:363pt;
     2069 id="Picture_x0020_20" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:363pt;
    20592070 height:74.25pt;visibility:visible;mso-wrap-style:square'>
    20602071 <v:imagedata src="Magnetic-II_files/image047.png" o:title=""/>
    20612072</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=99
    2062 src="Magnetic-II_files/image070.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
     2073src="Magnetic-II_files/image042.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    20632074
    20642075<p class=MsoNormal>Select the one atom and do <span class=GramE><b
     
    20722083
    20732084<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2074  id="Picture_x0020_21" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:5in;
     2085 id="Picture_x0020_21" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:5in;
    20752086 height:368.25pt;visibility:visible;mso-wrap-style:square'>
    20762087 <v:imagedata src="Magnetic-II_files/image049.png" o:title=""/>
    20772088</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
    2078 src="Magnetic-II_files/image072.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
     2089src="Magnetic-II_files/image044.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
    20792090
    20802091<p class=MsoNormal>This is an antiferromagnetic structure. Now select the Atoms
     
    20922103
    20932104<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2094  id="Picture_x0020_22" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:5in;
     2105 id="Picture_x0020_22" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:5in;
    20952106 height:368.25pt;visibility:visible;mso-wrap-style:square'>
    20962107 <v:imagedata src="Magnetic-II_files/image051.png" o:title=""/>
    20972108</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
    2098 src="Magnetic-II_files/image074.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
     2109src="Magnetic-II_files/image046.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
    20992110
    21002111<p class=MsoNormal><span class=GramE>which</span> is now a ferromagnetic
     
    21202131mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
    21212132entry<br>
    2122 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_23"
    2123  o:spid="_x0000_i1041" type="#_x0000_t75" style='width:360.75pt;height:159pt;
     2133<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_42"
     2134 o:spid="_x0000_i1038" type="#_x0000_t75" style='width:361.5pt;height:196.5pt;
    21242135 visibility:visible;mso-wrap-style:square'>
    2125  <v:imagedata src="Magnetic-II_files/image053.png" o:title=""/>
    2126 </v:shape><![endif]--><![if !vml]><img border=0 width=481 height=212
    2127 src="Magnetic-II_files/image076.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
     2136 <v:imagedata src="Magnetic-II_files/image048.png" o:title=""/>
     2137</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=262
     2138src="Magnetic-II_files/image050.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
    21282139
    21292140<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
     
    21462157<h2>Step 7. Select 2nd magnetic structure</h2>
    21472158
    2148 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
    2149 
    2150 <p class=MsoNormal>To continue the selection process, we need to use the saved
    2151 project used for the first selection because it contains the table of possible
    2152 magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
     2159<p class=MsoNormal>To continue the selection process, we need to use the saved project
     2160used for the first selection because it contains the table of possible magnetic
     2161space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
    21532162normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    21542163minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
     
    21632172
    21642173<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2165  id="Picture_x0020_24" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:358.5pt;
     2174 id="Picture_x0020_24" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:358.5pt;
    21662175 height:189.75pt;visibility:visible;mso-wrap-style:square'>
    21672176 <v:imagedata src="Magnetic-II_files/image055.png" o:title=""/>
    21682177</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=253
    2169 src="Magnetic-II_files/image097.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
     2178src="Magnetic-II_files/image052.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
    21702179
    21712180<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
     
    21752184
    21762185<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2177  id="Picture_x0020_46" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:195pt;
     2186 id="Picture_x0020_46" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:195pt;
    21782187 height:200.25pt;visibility:visible;mso-wrap-style:square'>
    21792188 <v:imagedata src="Magnetic-II_files/image065.png" o:title=""/>
     
    21912200
    21922201<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2193  id="Picture_x0020_26" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:264.75pt;
     2202 id="Picture_x0020_26" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:264.75pt;
    21942203 height:92.25pt;visibility:visible;mso-wrap-style:square'>
    21952204 <v:imagedata src="Magnetic-II_files/image058.png" o:title=""/>
     
    22082217
    22092218<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2210  id="Picture_x0020_27" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:360.75pt;
     2219 id="Picture_x0020_27" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:360.75pt;
    22112220 height:192.75pt;visibility:visible;mso-wrap-style:square'>
    22122221 <v:imagedata src="Magnetic-II_files/image059.png" o:title=""/>
    22132222</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=257
    2214 src="Magnetic-II_files/image098.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
     2223src="Magnetic-II_files/image054.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
    22152224
    22162225<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
     
    22202229
    22212230<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2222  id="Picture_x0020_28" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:360.75pt;
     2231 id="Picture_x0020_28" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:360.75pt;
    22232232 height:1in;visibility:visible;mso-wrap-style:square'>
    22242233 <v:imagedata src="Magnetic-II_files/image069.png" o:title=""/>
    22252234</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=96
    2226 src="Magnetic-II_files/image099.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
     2235src="Magnetic-II_files/image056.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
    22272236
    22282237<p class=MsoNormal>Again <span class=SpellE>Mx</span> &amp; <span class=GramE>My
     
    22472256
    22482257<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2249  id="Picture_x0020_29" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:362.25pt;
     2258 id="Picture_x0020_29" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:362.25pt;
    22502259 height:370.5pt;visibility:visible;mso-wrap-style:square'>
    22512260 <v:imagedata src="Magnetic-II_files/image071.png" o:title=""/>
    22522261</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=494
    2253 src="Magnetic-II_files/image100.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
     2262src="Magnetic-II_files/image057.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
    22542263
    22552264<p class=MsoNormal><span class=GramE>which</span> is an antiferromagnetic
     
    22672276
    22682277<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2269  id="Picture_x0020_30" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:360.75pt;
     2278 id="Picture_x0020_30" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:360.75pt;
    22702279 height:369.75pt;visibility:visible;mso-wrap-style:square'>
    22712280 <v:imagedata src="Magnetic-II_files/image073.png" o:title=""/>
    22722281</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=493
    2273 src="Magnetic-II_files/image101.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
     2282src="Magnetic-II_files/image060.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
    22742283
    22752284<p class=MsoNormal><span class=GramE>which</span> is yet another
     
    23112320
    23122321<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2313  id="Picture_x0020_31" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:358.5pt;
     2322 id="Picture_x0020_31" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:358.5pt;
    23142323 height:366.75pt;visibility:visible;mso-wrap-style:square'>
    23152324 <v:imagedata src="Magnetic-II_files/image075.png" o:title=""/>
    23162325</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=489
    2317 src="Magnetic-II_files/image102.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
     2326src="Magnetic-II_files/image077.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
    23182327
    23192328<p class=MsoNormal>Moreover, the 001 magnetic reflection has considerable
     
    23312340
    23322341<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2333  id="Picture_x0020_32" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:468pt;
    2334  height:90.75pt;visibility:visible;mso-wrap-style:square'>
     2342 id="Picture_x0020_32" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:365.25pt;
     2343 height:71.25pt;visibility:visible;mso-wrap-style:square'>
    23352344 <v:imagedata src="Magnetic-II_files/image081.png" o:title=""/>
    2336 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=121
    2337 src="Magnetic-II_files/image103.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
     2345</v:shape><![endif]--><![if !vml]><img border=0 width=487 height=95
     2346src="Magnetic-II_files/image078.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
    23382347
    23392348<p class=MsoNormal>Set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     
    23542363
    23552364<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2356  id="Picture_x0020_33" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:362.25pt;
    2357  height:132.75pt;visibility:visible;mso-wrap-style:square'>
    2358  <v:imagedata src="Magnetic-II_files/image083.png" o:title=""/>
    2359 </v:shape><![endif]--><![if !vml]><img border=0 width=483 height=177
    2360 src="Magnetic-II_files/image104.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
    2361 
    2362 <p class=MsoNormal>We see this error message. Press <b style='mso-bidi-font-weight:
    2363 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2364 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
    2365 and view the constraints list</p>
    2366 
    2367 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2368  id="Picture_x0020_35" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:361.5pt;
    2369  height:201pt;visibility:visible;mso-wrap-style:square'>
    2370  <v:imagedata src="Magnetic-II_files/image085.png" o:title=""/>
    2371 </v:shape><![endif]--><![if !vml]><img border=0 width=482 height=268
    2372 src="Magnetic-II_files/image105.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
    2373 
    2374 <p class=MsoNormal>The problem here is that the constraints generator doesn’t
    2375 recognize that the tetragonal A1 (= b*<sup>2</sup>) is not an independent
    2376 parameter and thus cannot be used to constrain its orthorhombic counterpart. To
    2377 fix this we have to delete the offending constraint and insert a new one tying
    2378 the two orthorhombic (A0 &amp; A1) together. First, <span class=GramE><b
    2379 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2380 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    2381 minor-latin'>Delete</span></b></span> the one marked in yellow</p>
    2382 
    2383 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2384  id="Picture_x0020_36" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:356.25pt;
    2385  height:198.75pt;visibility:visible;mso-wrap-style:square'>
    2386  <v:imagedata src="Magnetic-II_files/image087.png" o:title=""/>
    2387 </v:shape><![endif]--><![if !vml]><img border=0 width=475 height=265
    2388 src="Magnetic-II_files/image106.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
    2389 
    2390 <p class=MsoNormal>Next do <b style='mso-bidi-font-weight:normal'><span
    2391 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2392 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit Constr<span
    2393 class=GramE>./</span>Add equivalence</span></b> and select <b style='mso-bidi-font-weight:
    2394 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2395 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::A0</span></b>
    2396 in the 1<sup>st</sup> popup and then <b style='mso-bidi-font-weight:normal'><span
    2397 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2398 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::A1</span></b>
    2399 in the second (you may have to navigate away from Constraints and then back
    2400 before the Add – a known bug). If successful the Constraints should look like</p>
    2401 
    2402 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    2403  id="Picture_x0020_37" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:359.25pt;
    2404  height:172.5pt;visibility:visible;mso-wrap-style:square'>
    2405  <v:imagedata src="Magnetic-II_files/image089.png" o:title=""/>
    2406 </v:shape><![endif]--><![if !vml]><img border=0 width=479 height=230
    2407 src="Magnetic-II_files/image107.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
    2408 
    2409 <p class=MsoNormal>Notice the last constraint which ties the two normally
    2410 inequivalent orthorhombic metric tensor elements together. Now finally add the
    2411 hold on <span class=SpellE>Mx</span>; Do <b style='mso-bidi-font-weight:normal'><span
    2412 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2413 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit Constr<span
    2414 class=GramE>./</span>Add hold</span></b>; select <b style='mso-bidi-font-weight:
    2415 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    2416 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::AMx:0</span></b>.
    2417 The constraints should look like</p>
     2365 id="Picture_x0020_43" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:368.25pt;
     2366 height:171pt;visibility:visible;mso-wrap-style:square'>
     2367 <v:imagedata src="Magnetic-II_files/image079.png" o:title=""/>
     2368</v:shape><![endif]--><![if !vml]><img border=0 width=491 height=228
     2369src="Magnetic-II_files/image080.png" v:shapes="Picture_x0020_43"><![endif]></span></p>
     2370
     2371<p class=MsoNormal>Notice the two constraints which ties the two normally
     2372inequivalent orthorhombic metric tensor elements to a single tetragonal one.
     2373Now finally add the hold on <span class=SpellE>Mx</span>; Do <b
     2374style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2375mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2376minor-latin'>Edit Constr<span class=GramE>./</span>Add hold</span></b>; select <b
     2377style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2378mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     2379minor-latin'>1::AMx:0</span></b>. The constraints should look like</p>
    24182380
    24192381<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     
    24222384 <v:imagedata src="Magnetic-II_files/image091.png" o:title=""/>
    24232385</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=249
    2424 src="Magnetic-II_files/image108.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
     2386src="Magnetic-II_files/image082.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
    24252387
    24262388<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
     
    24392401 <v:imagedata src="Magnetic-II_files/image093.png" o:title=""/>
    24402402</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=492
    2441 src="Magnetic-II_files/image109.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
     2403src="Magnetic-II_files/image084.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
    24422404
    24432405<p class=MsoNormal>The remaining misfits are from some contaminating phase(s)
     
    24622424 <v:imagedata src="Magnetic-II_files/image095.png" o:title=""/>
    24632425</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=494
    2464 src="Magnetic-II_files/image110.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
     2426src="Magnetic-II_files/image086.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
    24652427
    24662428<p class=MsoNormal>The Cr magnetic moment (m<sub>y</sub>) = 2.35(2) shown in <b
     
    24682430mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    24692431minor-latin'>Cr2WO6 mag_43.lst</span></b>. Notice that the chemical space group
    2470 is tetragonal; although the effect is very small, the magnetic ordering will reduce
    2471 the chemical cell symmetry to match the magnetic symmetry. The analysis
     2432is tetragonal; although the effect is very small, the magnetic ordering will
     2433reduce the chemical cell symmetry to match the magnetic symmetry. The analysis
    24722434presented here gives the proper subgroup needed for this description, <span
    24732435class=SpellE>Pnnm</span>, along with the transformation (<span class=SpellE>a<span
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