source: Tutorials/Magnetic-III/Magnetic-III.htm @ 3632

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new magnetic tutorial

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412  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
413  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
414  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
415  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
416  <w:LsdException Locked="false" Priority="34" QFormat="true"
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419  <w:LsdException Locked="false" Priority="30" QFormat="true"
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423  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
424  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
425  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
426  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
427  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
428  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
429  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
430  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
431  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
432  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
433  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
434  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
435  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
436  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
439  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
440  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
441  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
442  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
443  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
444  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
445  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
446  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
447  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
448  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
449  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
450  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
453  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
454  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
455  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
456  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
457  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
458  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
459  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
460  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
461  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
462  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
463  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
464  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
467  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
468  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
469  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
470  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
471  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
472  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
473  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
474  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
475  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
476  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
477  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
478  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
481  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
482  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
483  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
484  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
485  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
486  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
487  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
488  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
489  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
490  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
491  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
492  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
495  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
496  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
497  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
498  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
499  <w:LsdException Locked="false" Priority="19" QFormat="true"
500   Name="Subtle Emphasis"/>
501  <w:LsdException Locked="false" Priority="21" QFormat="true"
502   Name="Intense Emphasis"/>
503  <w:LsdException Locked="false" Priority="31" QFormat="true"
504   Name="Subtle Reference"/>
505  <w:LsdException Locked="false" Priority="32" QFormat="true"
506   Name="Intense Reference"/>
507  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
508  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
509   UnhideWhenUsed="true" Name="Bibliography"/>
510  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
511   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
512  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
513  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
514  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
515  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
516  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
517  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
518  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
519  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
520  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
521  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
522  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
523  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
524  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
525  <w:LsdException Locked="false" Priority="46"
526   Name="Grid Table 1 Light Accent 1"/>
527  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
528  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
529  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
530  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
531  <w:LsdException Locked="false" Priority="51"
532   Name="Grid Table 6 Colorful Accent 1"/>
533  <w:LsdException Locked="false" Priority="52"
534   Name="Grid Table 7 Colorful Accent 1"/>
535  <w:LsdException Locked="false" Priority="46"
536   Name="Grid Table 1 Light Accent 2"/>
537  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
538  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
539  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
540  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
541  <w:LsdException Locked="false" Priority="51"
542   Name="Grid Table 6 Colorful Accent 2"/>
543  <w:LsdException Locked="false" Priority="52"
544   Name="Grid Table 7 Colorful Accent 2"/>
545  <w:LsdException Locked="false" Priority="46"
546   Name="Grid Table 1 Light Accent 3"/>
547  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
548  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
549  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
550  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
551  <w:LsdException Locked="false" Priority="51"
552   Name="Grid Table 6 Colorful Accent 3"/>
553  <w:LsdException Locked="false" Priority="52"
554   Name="Grid Table 7 Colorful Accent 3"/>
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557  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
558  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
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562   Name="Grid Table 6 Colorful Accent 4"/>
563  <w:LsdException Locked="false" Priority="52"
564   Name="Grid Table 7 Colorful Accent 4"/>
565  <w:LsdException Locked="false" Priority="46"
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567  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
568  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
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570  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
571  <w:LsdException Locked="false" Priority="51"
572   Name="Grid Table 6 Colorful Accent 5"/>
573  <w:LsdException Locked="false" Priority="52"
574   Name="Grid Table 7 Colorful Accent 5"/>
575  <w:LsdException Locked="false" Priority="46"
576   Name="Grid Table 1 Light Accent 6"/>
577  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
578  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
579  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
580  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
581  <w:LsdException Locked="false" Priority="51"
582   Name="Grid Table 6 Colorful Accent 6"/>
583  <w:LsdException Locked="false" Priority="52"
584   Name="Grid Table 7 Colorful Accent 6"/>
585  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
586  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
587  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
588  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
589  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
590  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
591  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
592  <w:LsdException Locked="false" Priority="46"
593   Name="List Table 1 Light Accent 1"/>
594  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
595  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
596  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
597  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
598  <w:LsdException Locked="false" Priority="51"
599   Name="List Table 6 Colorful Accent 1"/>
600  <w:LsdException Locked="false" Priority="52"
601   Name="List Table 7 Colorful Accent 1"/>
602  <w:LsdException Locked="false" Priority="46"
603   Name="List Table 1 Light Accent 2"/>
604  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
605  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
606  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
607  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
608  <w:LsdException Locked="false" Priority="51"
609   Name="List Table 6 Colorful Accent 2"/>
610  <w:LsdException Locked="false" Priority="52"
611   Name="List Table 7 Colorful Accent 2"/>
612  <w:LsdException Locked="false" Priority="46"
613   Name="List Table 1 Light Accent 3"/>
614  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
615  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
616  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
617  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
618  <w:LsdException Locked="false" Priority="51"
619   Name="List Table 6 Colorful Accent 3"/>
620  <w:LsdException Locked="false" Priority="52"
621   Name="List Table 7 Colorful Accent 3"/>
622  <w:LsdException Locked="false" Priority="46"
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624  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
625  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
626  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
627  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
628  <w:LsdException Locked="false" Priority="51"
629   Name="List Table 6 Colorful Accent 4"/>
630  <w:LsdException Locked="false" Priority="52"
631   Name="List Table 7 Colorful Accent 4"/>
632  <w:LsdException Locked="false" Priority="46"
633   Name="List Table 1 Light Accent 5"/>
634  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
635  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
636  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
637  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
638  <w:LsdException Locked="false" Priority="51"
639   Name="List Table 6 Colorful Accent 5"/>
640  <w:LsdException Locked="false" Priority="52"
641   Name="List Table 7 Colorful Accent 5"/>
642  <w:LsdException Locked="false" Priority="46"
643   Name="List Table 1 Light Accent 6"/>
644  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
645  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
646  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
647  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
648  <w:LsdException Locked="false" Priority="51"
649   Name="List Table 6 Colorful Accent 6"/>
650  <w:LsdException Locked="false" Priority="52"
651   Name="List Table 7 Colorful Accent 6"/>
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784        {mso-style-noshow:yes;
785        mso-style-priority:99;
786        color:blue;
787        text-decoration:underline;
788        text-underline:single;}
789a:visited, span.MsoHyperlinkFollowed
790        {mso-style-noshow:yes;
791        mso-style-priority:99;
792        color:purple;
793        text-decoration:underline;
794        text-underline:single;}
795p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
796        {mso-style-noshow:yes;
797        mso-style-priority:99;
798        mso-style-link:"Document Map Char";
799        margin:0in;
800        margin-bottom:.0001pt;
801        mso-pagination:widow-orphan;
802        font-size:8.0pt;
803        font-family:"Tahoma",sans-serif;
804        mso-fareast-font-family:"Times New Roman";
805        mso-fareast-theme-font:minor-fareast;}
806p
807        {mso-style-noshow:yes;
808        mso-style-priority:99;
809        mso-margin-top-alt:auto;
810        margin-right:0in;
811        mso-margin-bottom-alt:auto;
812        margin-left:0in;
813        mso-pagination:widow-orphan;
814        font-size:12.0pt;
815        font-family:"Times New Roman",serif;
816        mso-fareast-font-family:"Times New Roman";
817        mso-fareast-theme-font:minor-fareast;}
818pre
819        {mso-style-noshow:yes;
820        mso-style-priority:99;
821        mso-style-link:"HTML Preformatted Char";
822        margin:0in;
823        margin-bottom:.0001pt;
824        mso-pagination:widow-orphan;
825        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
826        font-size:10.0pt;
827        font-family:"Courier New";
828        mso-fareast-font-family:"Times New Roman";}
829p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
830        {mso-style-noshow:yes;
831        mso-style-priority:99;
832        mso-style-link:"Balloon Text Char";
833        margin:0in;
834        margin-bottom:.0001pt;
835        mso-pagination:widow-orphan;
836        font-size:8.0pt;
837        font-family:"Tahoma",sans-serif;
838        mso-fareast-font-family:"Times New Roman";
839        mso-fareast-theme-font:minor-fareast;}
840span.MsoPlaceholderText
841        {mso-style-noshow:yes;
842        mso-style-priority:99;
843        mso-style-unhide:no;
844        color:gray;}
845p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
846        {mso-style-noshow:yes;
847        mso-style-priority:1;
848        mso-style-unhide:no;
849        mso-style-qformat:yes;
850        mso-style-parent:"";
851        margin:0in;
852        margin-bottom:.0001pt;
853        mso-pagination:widow-orphan;
854        font-size:12.0pt;
855        font-family:"Times New Roman",serif;
856        mso-fareast-font-family:"Times New Roman";
857        mso-fareast-theme-font:minor-fareast;}
858p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
859        {mso-style-noshow:yes;
860        mso-style-priority:34;
861        mso-style-unhide:no;
862        mso-style-qformat:yes;
863        margin-top:0in;
864        margin-right:0in;
865        margin-bottom:0in;
866        margin-left:.5in;
867        margin-bottom:.0001pt;
868        mso-add-space:auto;
869        mso-pagination:widow-orphan;
870        font-size:12.0pt;
871        font-family:"Times New Roman",serif;
872        mso-fareast-font-family:"Times New Roman";
873        mso-fareast-theme-font:minor-fareast;}
874p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
875        {mso-style-noshow:yes;
876        mso-style-priority:34;
877        mso-style-unhide:no;
878        mso-style-qformat:yes;
879        mso-style-type:export-only;
880        margin-top:0in;
881        margin-right:0in;
882        margin-bottom:0in;
883        margin-left:.5in;
884        margin-bottom:.0001pt;
885        mso-add-space:auto;
886        mso-pagination:widow-orphan;
887        font-size:12.0pt;
888        font-family:"Times New Roman",serif;
889        mso-fareast-font-family:"Times New Roman";
890        mso-fareast-theme-font:minor-fareast;}
891p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
892        {mso-style-noshow:yes;
893        mso-style-priority:34;
894        mso-style-unhide:no;
895        mso-style-qformat:yes;
896        mso-style-type:export-only;
897        margin-top:0in;
898        margin-right:0in;
899        margin-bottom:0in;
900        margin-left:.5in;
901        margin-bottom:.0001pt;
902        mso-add-space:auto;
903        mso-pagination:widow-orphan;
904        font-size:12.0pt;
905        font-family:"Times New Roman",serif;
906        mso-fareast-font-family:"Times New Roman";
907        mso-fareast-theme-font:minor-fareast;}
908p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
909        {mso-style-noshow:yes;
910        mso-style-priority:34;
911        mso-style-unhide:no;
912        mso-style-qformat:yes;
913        mso-style-type:export-only;
914        margin-top:0in;
915        margin-right:0in;
916        margin-bottom:0in;
917        margin-left:.5in;
918        margin-bottom:.0001pt;
919        mso-add-space:auto;
920        mso-pagination:widow-orphan;
921        font-size:12.0pt;
922        font-family:"Times New Roman",serif;
923        mso-fareast-font-family:"Times New Roman";
924        mso-fareast-theme-font:minor-fareast;}
925span.MsoIntenseReference
926        {mso-style-priority:32;
927        mso-style-unhide:no;
928        mso-style-qformat:yes;
929        font-variant:small-caps;
930        color:#ED7D31;
931        mso-themecolor:accent2;
932        letter-spacing:.25pt;
933        font-weight:bold;
934        text-decoration:underline;
935        text-underline:single;}
936span.Heading1Char
937        {mso-style-name:"Heading 1 Char";
938        mso-style-priority:9;
939        mso-style-unhide:no;
940        mso-style-locked:yes;
941        mso-style-link:"Heading 1";
942        mso-ansi-font-size:24.0pt;
943        mso-bidi-font-size:24.0pt;
944        font-family:"Times New Roman",serif;
945        mso-ascii-font-family:"Times New Roman";
946        mso-fareast-font-family:"Times New Roman";
947        mso-fareast-theme-font:minor-fareast;
948        mso-hansi-font-family:"Times New Roman";
949        mso-bidi-font-family:"Times New Roman";
950        mso-font-kerning:18.0pt;
951        font-weight:bold;}
952span.Heading2Char
953        {mso-style-name:"Heading 2 Char";
954        mso-style-noshow:yes;
955        mso-style-priority:9;
956        mso-style-unhide:no;
957        mso-style-locked:yes;
958        mso-style-link:"Heading 2";
959        mso-ansi-font-size:18.0pt;
960        mso-bidi-font-size:18.0pt;
961        font-family:"Times New Roman",serif;
962        mso-ascii-font-family:"Times New Roman";
963        mso-fareast-font-family:"Times New Roman";
964        mso-fareast-theme-font:minor-fareast;
965        mso-hansi-font-family:"Times New Roman";
966        mso-bidi-font-family:"Times New Roman";
967        font-weight:bold;}
968span.Heading3Char
969        {mso-style-name:"Heading 3 Char";
970        mso-style-noshow:yes;
971        mso-style-priority:9;
972        mso-style-unhide:no;
973        mso-style-locked:yes;
974        mso-style-link:"Heading 3";
975        mso-ansi-font-size:13.5pt;
976        mso-bidi-font-size:13.5pt;
977        font-family:"Times New Roman",serif;
978        mso-ascii-font-family:"Times New Roman";
979        mso-fareast-font-family:"Times New Roman";
980        mso-fareast-theme-font:minor-fareast;
981        mso-hansi-font-family:"Times New Roman";
982        mso-bidi-font-family:"Times New Roman";
983        font-weight:bold;}
984span.Heading4Char
985        {mso-style-name:"Heading 4 Char";
986        mso-style-noshow:yes;
987        mso-style-priority:9;
988        mso-style-unhide:no;
989        mso-style-locked:yes;
990        mso-style-link:"Heading 4";
991        mso-ansi-font-size:13.0pt;
992        mso-bidi-font-size:13.0pt;
993        font-family:"Calibri Light",sans-serif;
994        mso-ascii-font-family:"Calibri Light";
995        mso-ascii-theme-font:major-latin;
996        mso-fareast-font-family:"Times New Roman";
997        mso-fareast-theme-font:major-fareast;
998        mso-hansi-font-family:"Calibri Light";
999        mso-hansi-theme-font:major-latin;
1000        mso-bidi-font-family:"Times New Roman";
1001        mso-bidi-theme-font:major-bidi;
1002        color:#5B9BD5;
1003        mso-themecolor:accent1;
1004        font-weight:bold;
1005        font-style:italic;}
1006span.Heading5Char
1007        {mso-style-name:"Heading 5 Char";
1008        mso-style-noshow:yes;
1009        mso-style-priority:9;
1010        mso-style-unhide:no;
1011        mso-style-locked:yes;
1012        mso-style-link:"Heading 5";
1013        mso-ansi-font-size:12.0pt;
1014        mso-bidi-font-size:12.0pt;
1015        font-family:"Times New Roman",serif;
1016        mso-ascii-font-family:"Times New Roman";
1017        mso-fareast-font-family:"Times New Roman";
1018        mso-fareast-theme-font:minor-fareast;
1019        mso-hansi-font-family:"Times New Roman";
1020        mso-bidi-font-family:"Times New Roman";
1021        color:#4F4FFF;
1022        font-weight:bold;}
1023span.HTMLPreformattedChar
1024        {mso-style-name:"HTML Preformatted Char";
1025        mso-style-noshow:yes;
1026        mso-style-priority:99;
1027        mso-style-unhide:no;
1028        mso-style-locked:yes;
1029        mso-style-link:"HTML Preformatted";
1030        mso-ansi-font-size:10.0pt;
1031        mso-bidi-font-size:10.0pt;
1032        font-family:"Courier New";
1033        mso-ascii-font-family:"Courier New";
1034        mso-fareast-font-family:"Times New Roman";
1035        mso-hansi-font-family:"Courier New";
1036        mso-bidi-font-family:"Courier New";}
1037p.msonormal0, li.msonormal0, div.msonormal0
1038        {mso-style-name:msonormal;
1039        mso-style-noshow:yes;
1040        mso-style-priority:99;
1041        mso-style-unhide:no;
1042        mso-margin-top-alt:auto;
1043        margin-right:0in;
1044        mso-margin-bottom-alt:auto;
1045        margin-left:0in;
1046        mso-pagination:widow-orphan;
1047        font-size:12.0pt;
1048        font-family:"Times New Roman",serif;
1049        mso-fareast-font-family:"Times New Roman";
1050        mso-fareast-theme-font:minor-fareast;}
1051span.DocumentMapChar
1052        {mso-style-name:"Document Map Char";
1053        mso-style-noshow:yes;
1054        mso-style-priority:99;
1055        mso-style-unhide:no;
1056        mso-style-locked:yes;
1057        mso-style-link:"Document Map";
1058        mso-ansi-font-size:8.0pt;
1059        mso-bidi-font-size:8.0pt;
1060        font-family:"Tahoma",sans-serif;
1061        mso-ascii-font-family:Tahoma;
1062        mso-fareast-font-family:"Times New Roman";
1063        mso-fareast-theme-font:minor-fareast;
1064        mso-hansi-font-family:Tahoma;
1065        mso-bidi-font-family:Tahoma;}
1066span.BalloonTextChar
1067        {mso-style-name:"Balloon Text Char";
1068        mso-style-noshow:yes;
1069        mso-style-priority:99;
1070        mso-style-unhide:no;
1071        mso-style-locked:yes;
1072        mso-style-link:"Balloon Text";
1073        mso-ansi-font-size:8.0pt;
1074        mso-bidi-font-size:8.0pt;
1075        font-family:"Tahoma",sans-serif;
1076        mso-ascii-font-family:Tahoma;
1077        mso-fareast-font-family:"Times New Roman";
1078        mso-fareast-theme-font:minor-fareast;
1079        mso-hansi-font-family:Tahoma;
1080        mso-bidi-font-family:Tahoma;}
1081span.GSAS-IItextChar
1082        {mso-style-name:"GSAS-II text Char";
1083        mso-style-unhide:no;
1084        mso-style-locked:yes;
1085        mso-style-link:"GSAS-II text";
1086        mso-ansi-font-size:12.0pt;
1087        mso-bidi-font-size:12.0pt;
1088        font-family:"Times New Roman",serif;
1089        mso-ascii-font-family:"Times New Roman";
1090        mso-fareast-font-family:"Times New Roman";
1091        mso-fareast-theme-font:minor-fareast;
1092        mso-hansi-font-family:"Times New Roman";
1093        mso-bidi-font-family:Calibri;
1094        mso-bidi-theme-font:minor-latin;
1095        font-weight:bold;
1096        mso-bidi-font-weight:normal;}
1097p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1098        {mso-style-name:"GSAS-II text";
1099        mso-style-noshow:yes;
1100        mso-style-priority:99;
1101        mso-style-unhide:no;
1102        mso-style-link:"GSAS-II text Char";
1103        margin:0in;
1104        margin-bottom:.0001pt;
1105        mso-pagination:widow-orphan;
1106        font-size:12.0pt;
1107        font-family:"Calibri",sans-serif;
1108        mso-ascii-font-family:Calibri;
1109        mso-ascii-theme-font:minor-latin;
1110        mso-fareast-font-family:"Times New Roman";
1111        mso-fareast-theme-font:minor-fareast;
1112        mso-hansi-font-family:Calibri;
1113        mso-hansi-theme-font:minor-latin;
1114        mso-bidi-font-family:Calibri;
1115        mso-bidi-theme-font:minor-latin;
1116        font-weight:bold;
1117        mso-bidi-font-weight:normal;}
1118span.SpellE
1119        {mso-style-name:"";
1120        mso-spl-e:yes;}
1121span.GramE
1122        {mso-style-name:"";
1123        mso-gram-e:yes;}
1124.MsoChpDefault
1125        {mso-style-type:export-only;
1126        mso-default-props:yes;
1127        font-size:10.0pt;
1128        mso-ansi-font-size:10.0pt;
1129        mso-bidi-font-size:10.0pt;
1130        font-family:"Calibri",sans-serif;
1131        mso-ascii-font-family:Calibri;
1132        mso-ascii-theme-font:minor-latin;
1133        mso-fareast-font-family:Calibri;
1134        mso-fareast-theme-font:minor-latin;
1135        mso-hansi-font-family:Calibri;
1136        mso-hansi-theme-font:minor-latin;
1137        mso-bidi-font-family:"Times New Roman";
1138        mso-bidi-theme-font:minor-bidi;}
1139@page WordSection1
1140        {size:8.5in 11.0in;
1141        margin:1.0in 1.0in 1.0in 1.0in;
1142        mso-header-margin:.5in;
1143        mso-footer-margin:.5in;
1144        mso-paper-source:0;}
1145div.WordSection1
1146        {page:WordSection1;}
1147 /* List Definitions */
1148 @list l0
1149        {mso-list-id:202911215;
1150        mso-list-type:hybrid;
1151        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1152@list l0:level1
1153        {mso-level-tab-stop:none;
1154        mso-level-number-position:left;
1155        text-indent:-.25in;}
1156@list l0:level2
1157        {mso-level-number-format:alpha-lower;
1158        mso-level-tab-stop:none;
1159        mso-level-number-position:left;
1160        text-indent:-.25in;}
1161@list l0:level3
1162        {mso-level-number-format:roman-lower;
1163        mso-level-tab-stop:none;
1164        mso-level-number-position:right;
1165        text-indent:-9.0pt;}
1166@list l0:level4
1167        {mso-level-tab-stop:none;
1168        mso-level-number-position:left;
1169        text-indent:-.25in;}
1170@list l0:level5
1171        {mso-level-number-format:alpha-lower;
1172        mso-level-tab-stop:none;
1173        mso-level-number-position:left;
1174        text-indent:-.25in;}
1175@list l0:level6
1176        {mso-level-number-format:roman-lower;
1177        mso-level-tab-stop:none;
1178        mso-level-number-position:right;
1179        text-indent:-9.0pt;}
1180@list l0:level7
1181        {mso-level-tab-stop:none;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l0:level8
1185        {mso-level-number-format:alpha-lower;
1186        mso-level-tab-stop:none;
1187        mso-level-number-position:left;
1188        text-indent:-.25in;}
1189@list l0:level9
1190        {mso-level-number-format:roman-lower;
1191        mso-level-tab-stop:none;
1192        mso-level-number-position:right;
1193        text-indent:-9.0pt;}
1194@list l1
1195        {mso-list-id:479426291;
1196        mso-list-type:hybrid;
1197        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1198@list l1:level1
1199        {mso-level-tab-stop:none;
1200        mso-level-number-position:left;
1201        text-indent:-.25in;}
1202@list l1:level2
1203        {mso-level-number-format:alpha-lower;
1204        mso-level-tab-stop:none;
1205        mso-level-number-position:left;
1206        text-indent:-.25in;}
1207@list l1:level3
1208        {mso-level-number-format:roman-lower;
1209        mso-level-tab-stop:none;
1210        mso-level-number-position:right;
1211        text-indent:-9.0pt;}
1212@list l1:level4
1213        {mso-level-tab-stop:none;
1214        mso-level-number-position:left;
1215        text-indent:-.25in;}
1216@list l1:level5
1217        {mso-level-number-format:alpha-lower;
1218        mso-level-tab-stop:none;
1219        mso-level-number-position:left;
1220        text-indent:-.25in;}
1221@list l1:level6
1222        {mso-level-number-format:roman-lower;
1223        mso-level-tab-stop:none;
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1275</head>
1276
1277<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1278
1279<div class=WordSection1>
1280
1281<h1>Magnetic Structures in GSAS-II - III</h1>
1282
1283<h2>Introduction</h2>
1284
1285<p class=MsoNormal>In this and subsequent tutorials, we will show how GSAS-II
1286makes use of the Bilbao crystallographic server (<a
1287href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>) <i style='mso-bidi-font-style:
1288normal'>Magnetic Symmetry and Applications</i> routine k-SUBGROUPSMAG (<a
1289href="http://iopscience.iop.org/0953-8984/28/28/286001"><span style='font-size:
129010.0pt;font-family:"Arial",sans-serif'>Perez-<span class=SpellE>Mato</span>,
1291JM; <span class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L;
1292<span class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI</span><span
1293style='font-size:10.0pt;font-family:"Arial",sans-serif;color:windowtext;
1294text-decoration:none;text-underline:none'><br>
1295</span><i><span style='font-size:10.0pt;font-family:"Arial",sans-serif'>J. of
1296Phys.: <span class=SpellE>Condens</span> Matter</span></i><span
1297style='font-size:10.0pt;font-family:"Arial",sans-serif'> (2016), <b>28</b>:28601</span></a>)
1298to determine a magnetic crystal structure with a non-zero propagation vector.
1299If you have not done so already, you may wish to do the Simple Magnetic
1300Structures tutorial first as it contains some background information that will
1301not be covered here. It is also helpful to do parts I and II of the series of
1302Magnetic Structures tutorials. To make this work, your computer must have an
1303internet connection for GSAS-II to access this site. (We will supply the
1304project file that results after k-SUBGROUPSMAG is called in case you lack
1305internet access).</p>
1306
1307<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1308 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1328 style='width:359.25pt;height:369.75pt;visibility:visible;mso-wrap-style:square'>
1329 <v:imagedata src="Magnetic-III_files/image001.png" o:title=""/>
1330</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=493
1331src="Magnetic-III_files/image002.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1332
1333<p class=MsoNormal>In this example, we will determine the magnetic structure
1334for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub> from neutron data taken on the
1335D1b diffractometer (ILL, Grenoble, France) at 1.4K and &#955;=2.394 Å and is
1336based on Example 12.2 in the Jana2006 Cookbook (<span class=SpellE>Dušek</span>,
1337et al., 2017).<span style='mso-spacerun:yes'>  </span>Its magnetic structure
1338was originally determined by <span class=SpellE>Mentré</span>, et al. (<span
1339class=SpellE>Mentré</span>, O., Kauffmann, M., <span class=SpellE>Ehora</span>,
1340G., <span class=SpellE>Daviero-Minaud</span>, S., Abraham F. &amp; <span
1341class=SpellE>Roussel</span>, P. (2008). <i>Solid State Sciences </i><b>10</b>,
1342471-475). The chemical structure is P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1343    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1344   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1345   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1346   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>6</m:r></span></i></m:e></m:acc></m:oMath><![endif]--><![if !msEquation]><span
1347style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1348"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1349top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
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1351 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1352 <v:imagedata src="Magnetic-III_files/image036.png" o:title="" chromakey="white"/>
1353</v:shape><![endif]--><![if !vml]><img width=9 height=19
1354src="Magnetic-III_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1355with a= 5.64870 Å and c= 5.64870 Å. From the structure drawing above, you can
1356see a tetrameric string of face sharing CoO<sub>6</sub> <span class=SpellE>octahedra</span>
1357and a separate CoO<sub>4</sub> tetrahedron with one disordered oxygen position
1358and it appears to order <span class=SpellE>antiferromagnetically</span> at low
1359temperature. Of interest is whether both tetrahedral and octahedral Co atoms
1360carry magnetic moments and how the moments are arranged. As we will see, in
1361this case the magnetic space group is a subgroup of the parent chemical one
1362after a doubling of the c-axis. We will use k-SUBGROUPSMAG to help sort this
1363out.</p>
1364
1365<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1366
1367<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1368about the internet connection!).</p>
1369
1370<h3>Step 1. Read in the data file</h3>
1371
1372<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1373style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1374style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1375the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1376mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1377minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1378Fit2D chi file</span></b> menu item to read the data file into the current
1379GSAS-II project. Because you used <span style='mso-fareast-font-family:Calibri;
1380mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1381normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1382minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1383mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1384style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1385menu entry to open this page and downloaded the exercise files (recommended),
1386then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1387"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1388Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-III/data/...</span></b><span
1389style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1390entry will bring you to the location where the files have been downloaded. (It
1391is also possible to download them manually from <a
1392href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/</a>.
1393In this case you will need to navigate to the download location manually.)<br>
1394For this tutorial the extension on the data file is the expected one, so it
1395should be immediately visible.</span></p>
1396
1397<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1398style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1399style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1400the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1401mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1402minor-latin'>Ba6Co6.xye</span></b><span style='font-family:"Calibri",sans-serif;
1403mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1404minor-latin'> data</span> file in the first dialog and press <b
1405style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1406mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1407minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1408class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1409"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1410minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1411style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1412mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1413minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1414style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1415mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1416minor-latin'>Yes</span></b></span> button to proceed.</p>
1417
1418<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1419style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1420style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1421this data file does not define an instrument parameter file, a file dialog will
1422appear for you to select the correct instrument parameter file. Select <b
1423style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1424mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1425minor-latin'>D1B.PRM</span></b>; you may have to change the file type in the
1426file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1427style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1428mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1429class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1430style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1431mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1432minor-latin'>GSAS-II data tree</span></b> window will have several entries</p>
1433
1434<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1435 id="Picture_x0020_5" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:324.75pt;
1436 height:199.5pt;visibility:visible;mso-wrap-style:square'>
1437 <v:imagedata src="Magnetic-III_files/image003.png" o:title=""/>
1438</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=266
1439src="Magnetic-III_files/image006.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1440
1441<p class=MsoNormal style='margin-left:.5in'><span class=GramE>and</span> the
1442plot window will show the powder pattern</p>
1443
1444<p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1445 id="Picture_x0020_6" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:324.75pt;
1446 height:334.5pt;visibility:visible;mso-wrap-style:square'>
1447 <v:imagedata src="Magnetic-III_files/image005.png" o:title=""/>
1448</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=446
1449src="Magnetic-III_files/image008.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1450
1451<p class=MsoNormal style='margin-left:.5in'>We will use the default limits.</p>
1452
1453<h3>Step 2. Read in the chemical structure for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub></h3>
1454
1455<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1456style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1457style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1458the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1459mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1460minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1461information for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub> into the current
1462GSAS-II project. The file you want is <b style='mso-bidi-font-weight:normal'><span
1463style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1464mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.cif</span></b>
1465and should be in your current directory. Other submenu items can read phase
1466information in other formats.<span style='mso-spacerun:yes'>  </span></p>
1467
1468<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1469style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1470style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1471the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1472mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1473minor-latin'>Ba6Co6.cif </span></b><span style='font-family:"Calibri",sans-serif;
1474mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1475minor-latin'>data</span> file in the first dialog and press <b
1476style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1477mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1478minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1479class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1480"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1481minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1482style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1483mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1484minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1485style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1486mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1487minor-latin'>Yes</span></b></span> button to proceed. You will get the
1488opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1489normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1490minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>);
1491press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1492mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1493minor-latin'>OK</span></b> to continue.</p>
1494
1495<p class=MsoListParagraphCxSpLast>Next is the histogram selection window; this
1496connects the phase to the data so it can be used in subsequent calculations.<span
1497style='mso-no-proof:yes'> </span>Select the histogram (or press <b
1498style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1499mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1500minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
1501style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1502mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1503The General tab for the phase is shown next<br>
1504<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1505 o:spid="_x0000_i1052" type="#_x0000_t75" style='width:322.5pt;height:176.25pt;
1506 visibility:visible;mso-wrap-style:square'>
1507 <v:imagedata src="Magnetic-III_files/image007.png" o:title=""/>
1508</v:shape><![endif]--><![if !vml]><img border=0 width=430 height=235
1509src="Magnetic-III_files/image010.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1510
1511<h3>Step 3. Check powder pattern indexing</h3>
1512
1513<p class=MsoNormal>Here the objective is to determine how the reflection positions
1514generated from the chemical (“nuclear”) crystal structure lattice match up with
1515the peaks observed for this antiferromagnet. </p>
1516
1517<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1518style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1519mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Unit Cells
1520List</span></b> from the tree entries under the histogram (begins with PWDR);
1521the Indexing controls will be shown<br>
1522<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1523 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:359.25pt;height:121.5pt;
1524 visibility:visible;mso-wrap-style:square'>
1525 <v:imagedata src="Magnetic-III_files/image009.png" o:title=""/>
1526</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=162
1527src="Magnetic-III_files/image012.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1528
1529<p class=MsoNormal>This can use lattice parameters &amp; space groups to
1530generate expected reflection positions to check against the peaks in the powder
1531pattern. One could then enter <span class=SpellE>Bravais</span> lattice, choose
1532space group &amp; enter lattice parameters by hand, but the easy way is to use
1533the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1534style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1535mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1536Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1537appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1538style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1539mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>).
1540This was taken from the Phases present in this project; there could be more
1541than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1542normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1543minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1544menu item allows you to get lattice information from any one of the other phase
1545containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1546style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1547mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1548and the Indexing controls will be change<br>
1549<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
1550 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:358.5pt;height:114pt;
1551 visibility:visible;mso-wrap-style:square'>
1552 <v:imagedata src="Magnetic-III_files/image011.png" o:title=""/>
1553</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=152
1554src="Magnetic-III_files/image014.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1555
1556<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1557Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub> you had obtained from the <span
1558class=SpellE>cif</span> file and the powder pattern will change showing the
1559lines for P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1560   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1561   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1562   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1563   normal'><span style='font-family:"Cambria Math",serif'><m:r>6</m:r></span></i></m:e></m:acc></m:oMath><![endif]--><![if !msEquation]><span
1564style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1565"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1566top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1567EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1568 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1569 <v:imagedata src="Magnetic-III_files/image036.png" o:title="" chromakey="white"/>
1570</v:shape><![endif]--><![if !vml]><img width=9 height=19
1571src="Magnetic-III_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1572and those lattice parameters. </p>
1573
1574<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1575style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1576mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin;mso-no-proof:
1577yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1049"
1578 type="#_x0000_t75" style='width:355.5pt;height:366pt;visibility:visible;
1579 mso-wrap-style:square'>
1580 <v:imagedata src="Magnetic-III_files/image013.png" o:title=""/>
1581</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=488
1582src="Magnetic-III_files/image016.gif" v:shapes="Picture_x0020_10"><![endif]></span></b></p>
1583
1584<p class=MsoNormal>I’ve expanded &amp; shifted the plot slightly to see that a
1585number of peaks are not indexed by this space group (NB: P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1586    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1587   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1588   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1589   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>6</m:r></span></i></m:e></m:acc></m:oMath><![endif]--><![if !msEquation]><span
1590style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1591"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1592top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1593EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1594 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1595 <v:imagedata src="Magnetic-III_files/image036.png" o:title="" chromakey="white"/>
1596</v:shape><![endif]--><![if !vml]><img width=9 height=19
1597src="Magnetic-III_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1598lacks space group extinctions so there is no need to change it as in previous
1599tutorials) and lattice. Antiferromagnetic ordering may force an increase in the
1600unit cell dimensions (usually a doubling or tripling of one or more cell
1601dimensions) or by removing a space group centering. The effect on reciprocal
1602space of this is the appearance of extra reflections at positions that are half
1603(or third) way between those expected from the parent lattice; they are
1604described by a “propagation vector” (<span class=SpellE>kx<span class=GramE>,ky,kz</span></span>)
1605consisting of fractions (1/2, 1/3, etc.). To explore this possibility here, we
1606need to try doubling either <span class=GramE>a or</span> c axis and see the
1607effect on the powder pattern indexing. To try a-axis doubling add “<b
1608style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1609mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1610minor-latin'>*2</span></b>” to the end of the a-axis value; it will quickly
1611change to</p>
1612
1613<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1614 id="Picture_x0020_11" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:357.75pt;
1615 height:114pt;visibility:visible;mso-wrap-style:square'>
1616 <v:imagedata src="Magnetic-III_files/image015.png" o:title=""/>
1617</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=152
1618src="Magnetic-III_files/image018.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1619
1620<p class=MsoNormal>Notice that the a-axis (11.2974) is now twice the original
1621value (5.6487) and the plot shows the new indexing</p>
1622
1623<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1624 id="Picture_x0020_12" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:357pt;
1625 height:367.5pt;visibility:visible;mso-wrap-style:square'>
1626 <v:imagedata src="Magnetic-III_files/image017.png" o:title=""/>
1627</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=490
1628src="Magnetic-III_files/image020.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1629
1630<p class=MsoNormal>Clearly that did not index all the observed peaks, so we
1631want to try doubling the c-axis next. First add “<b style='mso-bidi-font-weight:
1632normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1633minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1634to the end of the a-axis value; it will quickly change back to the old value
1635(and redraw the plot). Then add “<b style='mso-bidi-font-weight:normal'><span
1636style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1637mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
1638to the end of the c-axis value; it will change to 28.9316 and the plot shows</p>
1639
1640<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1641 id="Picture_x0020_13" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:5in;
1642 height:370.5pt;visibility:visible;mso-wrap-style:square'>
1643 <v:imagedata src="Magnetic-III_files/image019.png" o:title=""/>
1644</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=494
1645src="Magnetic-III_files/image022.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
1646
1647<p class=MsoNormal>In this case every powder peak is indexed so a doubling of
1648the c-axis is required and thus the propagation vector is (0<span class=GramE>,0,1</span>/2);
1649just the reciprocal of the required axis operation. Add a<span
1650style='mso-spacerun:yes'>  </span>“<b style='mso-bidi-font-weight:normal'><span
1651style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1652mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1653to the c-axis entry or else redo the <b style='mso-bidi-font-weight:normal'><span
1654style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1655mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Load cell</span></b>
1656operation, because the next step requires the chemical cell and space group to
1657be entered here (<b style='mso-bidi-font-weight:normal'><span style='font-family:
1658"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1659minor-latin;mso-bidi-theme-font:minor-latin'>VERY IMPORTANT!</span></b>)</p>
1660
1661<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1662
1663<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1664crystallographic server so you must be connected to the internet. In the Cell
1665Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1666style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1667mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1668k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1669
1670<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1671 id="Picture_x0020_14" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:166.5pt;
1672 height:278.25pt;visibility:visible;mso-wrap-style:square'>
1673 <v:imagedata src="Magnetic-III_files/image021.png" o:title=""/>
1674</v:shape><![endif]--><![if !vml]><img border=0 width=222 height=371
1675src="Magnetic-III_files/image024.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
1676
1677<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1678space group (P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1679   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1680   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1681   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1682   normal'><span style='font-family:"Cambria Math",serif'><m:r>6</m:r></span></i></m:e></m:acc></m:oMath><![endif]--><![if !msEquation]><span
1683style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1684"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1685top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1686EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1687 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1688 <v:imagedata src="Magnetic-III_files/image036.png" o:title="" chromakey="white"/>
1689</v:shape><![endif]--><![if !vml]><img width=9 height=19
1690src="Magnetic-III_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2)
1691is taken from the Space Group entry on the Unit Cells window. Since we just
1692discovered the propagation vector as (0<span class=GramE>,0,1</span>/2) change <b
1693style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1694mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1695minor-latin'>kz1</span></b> to <b style='mso-bidi-font-weight:normal'><span
1696style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1697mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>œ</span></b>.
1698The available selections were determined by surveying the known magnetic
1699crystal structures given in the Bilbao Magnetic Structures database. Select <b
1700style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1701mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1702minor-latin'>Co</span></b> for the <b style='mso-bidi-font-weight:normal'><span
1703style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1704mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>test for mag
1705atoms</span></b> and then press <b style='mso-bidi-font-weight:normal'><span
1706style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1707mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1708A popup dialog will appear reminding you how to cite the Bilbao routine in any
1709paper you write using this facility.</p>
1710
1711<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1712 id="Picture_x0020_15" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:357.75pt;
1713 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1714 <v:imagedata src="Magnetic-III_files/image023.png" o:title=""/>
1715</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1716src="Magnetic-III_files/image026.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1717
1718<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1719style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1720mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1721the nag note will also appear on the console and after a pause, the console
1722will show “request OK” indicating that the Bilbao site has responded with some
1723results. GSAS-II will next display a File Dialog asking for a project name to
1724save this project; change the directory to a useful place for your work on this
1725tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1726normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1727minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.<o:p></o:p></span></b></p>
1728
1729<p class=MsoNormal>The GSAS-II data window will display the results from
1730k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1731this file is located in the same location as the powder data and <span
1732class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1733normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1734minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1735Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1736normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1737minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>”).
1738The Unit Cells List window will show the results</p>
1739
1740<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1741 id="Picture_x0020_16" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:362.25pt;
1742 height:192pt;visibility:visible;mso-wrap-style:square'>
1743 <v:imagedata src="Magnetic-III_files/image025.png" o:title=""/>
1744</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=256
1745src="Magnetic-III_files/image028.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1746
1747<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1748style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1749mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1750on the first two entries; they both index every reflection. The two seem
1751identical except for the translation vector. Double click the row number for
1752the 1<sup>st</sup> one; a popup will appear</p>
1753
1754<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1755 id="Picture_x0020_17" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:304.5pt;
1756 height:329.25pt;visibility:visible;mso-wrap-style:square'>
1757 <v:imagedata src="Magnetic-III_files/image027.png" o:title=""/>
1758</v:shape><![endif]--><![if !vml]><img border=0 width=406 height=439
1759src="Magnetic-III_files/image030.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1760
1761<p class=MsoNormal>These are the magnetic symmetry operations for P<sub>c</sub>
1762-6 c 2. The subscript c on the lattice symbol indicates the c-axis magnetic
1763centering operation; see the entry “<b style='mso-bidi-font-weight:normal'><span
1764style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1765mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>for (0<span
1766class=GramE>,0,1</span>/2)+1’</span></b>”. The list of operators below it are
1767in red to indicate the spin inversion is applied for all of them. The Print Ops
1768button makes a full list on the console; these can be cut &amp; pasted into
1769other programs is needed. Press <b style='mso-bidi-font-weight:normal'><span
1770style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1771mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1772Since the 1<sup>st</sup> two solutions seem reasonable, we’ll try these.</p>
1773
1774<h3>Step 5. Select 1<sup>st</sup> magnetic structure</h3>
1775
1776<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1777style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1778mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>
1779phase from the GSAS-II data tree (under Phases). The General tab is shown for
1780this nuclear phase.</p>
1781
1782<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1783 id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:359.25pt;
1784 height:184.5pt;visibility:visible;mso-wrap-style:square'>
1785 <v:imagedata src="Magnetic-III_files/image029.png" o:title=""/>
1786</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
1787src="Magnetic-III_files/image032.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1788
1789<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1790style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1791mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1792magnetic phase</span></b>; that will make a small popup dialog</p>
1793
1794<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1795 id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:222.75pt;
1796 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1797 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
1798</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
1799src="Magnetic-III_files/image034.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1800
1801<p class=MsoNormal>This shows all magnetic phases that were marked <span
1802class=GramE>Keep</span> in the Unit Cells List; for each you see the
1803transformation and vector (the first two results will have the same space group
1804but are different translations). Select the 1<sup>st</sup> one and press <b
1805style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1806mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1807minor-latin'>OK</span></b>; a new popup dialog will appear.</p>
1808
1809<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1810 id="Picture_x0020_20" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:283.5pt;
1811 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1812 <v:imagedata src="Magnetic-III_files/image033.png" o:title=""/>
1813</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
1814src="Magnetic-III_files/image038.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1815
1816<p class=MsoNormal>Since the chemical phase had three Co atoms, having three
1817magnetic ones is no surprise. All have a possible magnetic moment; all <span
1818class=SpellE>Mz</span> only. Press <span class=GramE><b style='mso-bidi-font-weight:
1819normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1820minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
1821to use it. The project will be saved first, then a file dialog box will appear
1822offering a project name for this magnetic structure. It is named with the
1823number from the space group list (<b style='mso-bidi-font-weight:normal'><span
1824style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1825mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_1.gpx</span></b>);
1826press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1827mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1828minor-latin'>Save.</span></b> The new project will be opened to the General tab
1829for the P<sub>c</sub> <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1830    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1831   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1832   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1833   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>6</m:r></span></i></m:e></m:acc></m:oMath><![endif]--><![if !msEquation]><span
1834style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1835"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1836top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1837EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1838 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1839 <v:imagedata src="Magnetic-III_files/image036.png" o:title="" chromakey="white"/>
1840</v:shape><![endif]--><![if !vml]><img width=9 height=19
1841src="Magnetic-III_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1842magnetic phase just created.</p>
1843
1844<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1845 id="Picture_x0020_21" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468pt;
1846 height:247.5pt;visibility:visible;mso-wrap-style:square'>
1847 <v:imagedata src="Magnetic-III_files/image037.png" o:title=""/>
1848</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=330
1849src="Magnetic-III_files/image040.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1850
1851<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1852style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1853mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1854for all three Co atoms <span class=SpellE>Mz</span> values. Then go to Draw
1855Atoms, select them all and do <span class=GramE><b style='mso-bidi-font-weight:
1856normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1857minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
1858style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1859mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1860minor-latin'> Figure/Fill unit cell</span></b>; you’ll see this
1861antiferromagnetic structure</p>
1862
1863<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1864 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:340.5pt;
1865 height:9in;visibility:visible;mso-wrap-style:square'>
1866 <v:imagedata src="Magnetic-III_files/image039.png" o:title=""/>
1867</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=864
1868src="Magnetic-III_files/image042.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1869
1870<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1871style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1872mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1873</span></b>for the initial refinement. An error popup will show</p>
1874
1875<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1876 id="Picture_x0020_23" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363.75pt;
1877 height:123pt;visibility:visible;mso-wrap-style:square'>
1878 <v:imagedata src="Magnetic-III_files/image041.png" o:title=""/>
1879</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=164
1880src="Magnetic-III_files/image044.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1881
1882<p class=MsoNormal>This is similar to what happened in the previous tutorial
1883(and is a bug). Press <b style='mso-bidi-font-weight:normal'><span
1884style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1885mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1886&amp; go to the Constraints entry; we’ll see this same message again. Press <b
1887style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1888mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1889minor-latin'>OK</span></b> and the constraints will show</p>
1890
1891<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1892 id="Picture_x0020_24" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:361.5pt;
1893 height:269.25pt;visibility:visible;mso-wrap-style:square'>
1894 <v:imagedata src="Magnetic-III_files/image043.png" o:title=""/>
1895</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=359
1896src="Magnetic-III_files/image046.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1897
1898<p class=MsoNormal>The actual conflict is the 2<sup>nd</sup> from last one “<b
1899style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1900mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1901minor-latin'>EQUIV 1::A0 = 1.000*0::A0</span></b>” which is a duplicate of the
1902one above it. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1903"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1904minor-latin;mso-bidi-theme-font:minor-latin'>Delete</span></b> it; the error is
1905cleared</p>
1906
1907<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1908 id="Picture_x0020_25" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:359.25pt;
1909 height:267.75pt;visibility:visible;mso-wrap-style:square'>
1910 <v:imagedata src="Magnetic-III_files/image045.png" o:title=""/>
1911</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=357
1912src="Magnetic-III_files/image048.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
1913
1914<p class=MsoNormal>Now try <b style='mso-bidi-font-weight:normal'><span
1915style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1916mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1917again. The <span class=SpellE>wR</span> ~18% with some intensity for all the
1918peaks in the pattern, but the magnetic moments are probably wrong. Go to the
1919magnetic phase Atoms tab and select refine <b style='mso-bidi-font-weight:normal'><span
1920style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1921mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
1922for all three Co atoms. Do <b style='mso-bidi-font-weight:normal'><span
1923style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1924mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1925again; the residual drops a bit but now the errors seem to be mostly peak
1926position. Go to the General tab for both phases and check the <b
1927style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1928mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1929minor-latin'>Refine unit cell</span></b> box for each. Then go to Sample
1930parameters for the PWDR data set, set goniometer radius to <b style='mso-bidi-font-weight:
1931normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1932minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>650</span></b>
1933and check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
1934"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1935minor-latin;mso-bidi-theme-font:minor-latin'>Sample X &amp; Y <span
1936class=SpellE>displ</span></span></b> parameters. Do <b style='mso-bidi-font-weight:
1937normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1938minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1939again; <span class=SpellE>wR</span> ~ 15% now. To finish the refinement,
1940include Instrument parameters <b style='mso-bidi-font-weight:normal'><span
1941style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1942mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U, V, W, X, Y
1943and SH/L</span></b>; use <b style='mso-bidi-font-weight:normal'><span
1944style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1945mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1946Background term and refine <b style='mso-bidi-font-weight:normal'><span
1947style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1948mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1949for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1950style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1951mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
1952in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1953style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1954mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1955my residual was <span class=SpellE>wR</span>=7.49% and the magnetic atoms
1956showed most of the moment on Co2_1 (<span class=SpellE>Mz</span> = 3.2) with
1957the other two much smaller. </p>
1958
1959<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1960 id="Picture_x0020_26" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:356.25pt;
1961 height:598.5pt;visibility:visible;mso-wrap-style:square'>
1962 <v:imagedata src="Magnetic-III_files/image047.png" o:title=""/>
1963</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=798
1964src="Magnetic-III_files/image050.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
1965
1966<p class=MsoNormal>The fit to the powder pattern looks quite good</p>
1967
1968<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1969 id="Picture_x0020_27" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:5in;
1970 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1971 <v:imagedata src="Magnetic-III_files/image049.png" o:title=""/>
1972</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=377
1973src="Magnetic-III_files/image052.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
1974
1975<p class=MsoNormal>But we should try the other solution to see if it is better.
1976<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1977mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1978minor-latin'>Save</span></b> the project first.</p>
1979
1980<h3>Step 7. Select 2nd magnetic structure</h3>
1981
1982<p class=MsoNormal>To continue the selection process, we need to use the saved
1983project used for the first selection because it contains the table of possible
1984magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1985normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1986minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1987project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1988normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1989minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>;
1990you’ll see a reminder to save the old project (we just did this) and select the
1991<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1992mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1993minor-latin'>Ba6Co6</span></b> phase (should be the only one); the General tab
1994will be shown</p>
1995
1996<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1997 id="Picture_x0020_28" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;
1998 height:184.5pt;visibility:visible;mso-wrap-style:square'>
1999 <v:imagedata src="Magnetic-III_files/image051.png" o:title=""/>
2000</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
2001src="Magnetic-III_files/image054.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
2002
2003<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2004style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2005mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2006magnetic phase</span></b> from the menu; the popup should look like</p>
2007
2008<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2009 id="_x0000_i1030" type="#_x0000_t75" style='width:222.75pt;height:222.75pt;
2010 visibility:visible;mso-wrap-style:square'>
2011 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
2012</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
2013src="Magnetic-III_files/image034.gif" v:shapes="_x0000_i1030"><![endif]></span></p>
2014
2015<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
2016and press OK; a popup will appear</p>
2017
2018<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2019 id="_x0000_i1029" type="#_x0000_t75" style='width:283.5pt;height:123.75pt;
2020 visibility:visible;mso-wrap-style:square'>
2021 <v:imagedata src="Magnetic-III_files/image053.png" o:title=""/>
2022</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
2023src="Magnetic-III_files/image056.gif" v:shapes="_x0000_i1029"><![endif]></span></p>
2024
2025<p class=MsoNormal>It looks very similar to what we had before; close
2026comparison will show these to be shifted on z by Œ. Press <span class=GramE><b
2027style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2028mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2029minor-latin'>Yes</span></b></span> to use them. The project will be saved and a
2030new project <b style='mso-bidi-font-weight:normal'><span style='font-family:
2031"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2032minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.gpx</span></b> will
2033be created. The General tab for this new phase will be shown</p>
2034
2035<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2036 id="_x0000_i1028" type="#_x0000_t75" style='width:363.75pt;height:186.75pt;
2037 visibility:visible;mso-wrap-style:square'>
2038 <v:imagedata src="Magnetic-III_files/image055.png" o:title=""/>
2039</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=249
2040src="Magnetic-III_files/image090.gif" v:shapes="_x0000_i1028"><![endif]></span></p>
2041
2042<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mz</span>
2043for each Co atom to <b style='mso-bidi-font-weight:normal'><span
2044style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2045mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
2046Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic
2047structure. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
2048"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2049minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> first
2050– you’ll again have to correct he constraints by deleting the duplicate one.
2051Then set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2052"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2053minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b> refine flags for the
2054magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
2055style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2056mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2057Add <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2058mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2059minor-latin'>sample X &amp; Y displacements</span></b> (radius = <b
2060style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2061mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2062minor-latin'>650</span></b>) and both lattice parameters; do <b
2063style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2064mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2065minor-latin'>Calculate/Refine</span></b>. Then add Instrument parameters <b
2066style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2067mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2068minor-latin'>U, V, W, X, Y &amp; SH/L</span></b>; do <b style='mso-bidi-font-weight:
2069normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2070minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2071Finally use <b style='mso-bidi-font-weight:normal'><span style='font-family:
2072"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2073minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> background
2074coefficients and refine <b style='mso-bidi-font-weight:normal'><span
2075style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2076mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
2077for the chemical phase atoms and <b style='mso-bidi-font-weight:normal'><span
2078style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2079mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b>
2080for the magnetic atoms. Do <b style='mso-bidi-font-weight:normal'><span
2081style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2082mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2083a few times until it converges. I got <span class=SpellE>wR</span> = 7.46%
2084which is only slightly better than the result for the first model. In this case
2085the tetrahedral Co atom carries the large magnetic moment while the octahedral
2086ones have nearly zero moment. This is probably the better model because it is
2087similar to the magnetic structures found for related materials. We can see if
2088the moment is fully on the tetrahedral Co; set <span class=SpellE><b
2089style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2090mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2091minor-latin'>Mz</span></b></span><b style='mso-bidi-font-weight:normal'><span
2092style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2093mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>=0</span></b>
2094for the other two and set their refinement flags to just <b style='mso-bidi-font-weight:
2095normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2096minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>.
2097Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2098mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2099minor-latin'>Calculate/Refine</span></b>. My final <span class=SpellE>wR</span>=7.462%
2100shows that probably all the magnetic moment is on the tetrahedral Co atoms. The
2101Atoms list </p>
2102
2103<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2104 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:361.5pt;
2105 height:82.5pt;visibility:visible;mso-wrap-style:square'>
2106 <v:imagedata src="Magnetic-III_files/image084.png" o:title=""/>
2107</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=110
2108src="Magnetic-III_files/image091.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
2109
2110<p class=MsoNormal><span class=GramE>gives</span> <span class=SpellE>Mz</span>=3.296(35);
2111the <span class=SpellE>esd</span> is from <b style='mso-bidi-font-weight:normal'><span
2112style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2113mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.lst</span></b>.
2114The structure is then</p>
2115
2116<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2117 id="Picture_x0020_30" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:177.75pt;
2118 height:5in;visibility:visible;mso-wrap-style:square'>
2119 <v:imagedata src="Magnetic-III_files/image086.png" o:title=""/>
2120</v:shape><![endif]--><![if !vml]><img border=0 width=237 height=480
2121src="Magnetic-III_files/image092.gif" v:shapes="Picture_x0020_30"><![endif]><!--[if gte vml 1]><v:shape
2122 id="Picture_x0020_31" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:187.5pt;
2123 height:358.5pt;visibility:visible;mso-wrap-style:square'>
2124 <v:imagedata src="Magnetic-III_files/image088.png" o:title=""/>
2125</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=478
2126src="Magnetic-III_files/image093.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
2127
2128<p class=MsoNormal>I’ve placed the doubled c-axis chemical structure so you can
2129see the relationship between them.</p>
2130
2131<p class=MsoNormal>If I impose a similar constraint for the 1<sup>st</sup>
2132model, the final <span class=SpellE>wR</span>=7.524% is slightly higher than for
2133the 2<sup>nd</sup> model. This concludes this tutorial; you probably want to <span
2134class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2135"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2136minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span> both
2137projects before closing GSAS-II.</p>
2138
2139</div>
2140
2141</body>
2142
2143</html>
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