source: Tutorials/Magnetic-III/Magnetic-III.htm @ 3635

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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-Mato, JM; <span class=SpellE>Gallego</span>,
1291SV; <span class=SpellE>Elcoro</span>, L; <span class=SpellE>Tasci</span>, E and
1292<span class=SpellE>Aroyo</span>, MI, <i>J. of Phys.: <span class=SpellE>Condens</span>
1293Matter</i> (2016), <b>28</b>:28601</span></a>) to determine a magnetic crystal
1294structure with a non-zero propagation vector. If you have not done so already,
1295you may wish to do the Simple Magnetic Structures tutorial first as it contains
1296some background information that will not be covered here. It is also helpful
1297to do parts I and II of the series of Magnetic Structures tutorials. To make
1298this work, your computer must have an internet connection for GSAS-II to access
1299this site. (We will supply the project file that results after k-SUBGROUPSMAG
1300is called in case you lack internet access).</p>
1301
1302<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1303 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1323 style='width:359.25pt;height:369pt;visibility:visible;mso-wrap-style:square'>
1324 <v:imagedata src="Magnetic-III_files/image001.png" o:title=""/>
1325</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=492
1326src="Magnetic-III_files/image004.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1327
1328<p class=MsoNormal>In this example, we will determine the magnetic structure
1329for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub> from neutron data taken on the
1330D1b diffractometer (ILL, Grenoble, France) at 1.4K and &#955;=2.394 Å and is
1331based on Example 12.2 in the Jana2006 Cookbook (<span class=SpellE>Dušek</span>,
1332et al., 2017).<span style='mso-spacerun:yes'>  </span>Its magnetic structure
1333was originally determined by <span class=SpellE>Mentré</span>, et al. (<span
1334class=SpellE>Mentré</span>, O., Kauffmann, M., <span class=SpellE>Ehora</span>,
1335G., <span class=SpellE>Daviero-Minaud</span>, S., Abraham F. &amp; <span
1336class=SpellE>Roussel</span>, P. (2008). <i>Solid State Sciences </i><b>10</b>,
1337471-475). The chemical structure is P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1338    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1339   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1340   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1341   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
1342style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1343"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1344top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1345EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1346 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1347 <v:imagedata src="Magnetic-III_files/image035.png" o:title="" chromakey="white"/>
1348</v:shape><![endif]--><![if !vml]><img width=9 height=19
1349src="Magnetic-III_files/image036.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1350with a= 5.64870 Å and c= 5.64870 Å. From the structure drawing above, you can
1351see a tetrameric string of face sharing CoO<sub>6</sub> <span class=SpellE>octahedra</span>
1352and a separate CoO<sub>4</sub> tetrahedron with one disordered oxygen position
1353and it appears to order <span class=SpellE>antiferromagnetically</span> at low
1354temperature. Of interest is whether both tetrahedral and octahedral Co atoms
1355carry magnetic moments and how the moments are arranged. As we will see, in
1356this case the magnetic space group is a subgroup of the parent chemical one
1357after a doubling of the c-axis. We will use k-SUBGROUPSMAG to help sort this
1358out.</p>
1359
1360<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1361
1362<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1363about the internet connection!).</p>
1364
1365<h3>Step 1. Read in the data file</h3>
1366
1367<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1368style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1369style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1370the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1371mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1372minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1373Fit2D chi file</span></b> menu item to read the data file into the current
1374GSAS-II project. Because you used <span style='mso-fareast-font-family:Calibri;
1375mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1376normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1377minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1378mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1379style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1380menu entry to open this page and downloaded the exercise files (recommended),
1381then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1382"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1383Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-III/data/...</span></b><span
1384style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1385entry will bring you to the location where the files have been downloaded. (It
1386is also possible to download them manually from <a
1387href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/</a>.
1388In this case you will need to navigate to the download location manually.)<br>
1389For this tutorial the extension on the data file is the expected one, so it
1390should be immediately visible.</span></p>
1391
1392<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1393style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1394style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1395the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1396mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1397minor-latin'>Ba6Co6.xye</span></b><span style='font-family:"Calibri",sans-serif;
1398mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1399minor-latin'> data</span> file in the first dialog and press <b
1400style='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'>Open</span></b>. There will be a Dialog box asking <span
1403class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1404"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1405minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1406style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1407mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1408minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1409style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1410mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1411minor-latin'>Yes</span></b></span> button to proceed.</p>
1412
1413<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1414style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1415style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1416this data file does not define an instrument parameter file, a file dialog will
1417appear for you to select the correct instrument parameter file. Select <b
1418style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1419mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1420minor-latin'>D1B.PRM</span></b>; you may have to change the file type in the
1421file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1422style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1423mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1424class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1425style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1426mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1427minor-latin'>GSAS-II data tree</span></b> window will have several entries</p>
1428
1429<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1430 id="Picture_x0020_5" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:324pt;
1431 height:199.5pt;visibility:visible;mso-wrap-style:square'>
1432 <v:imagedata src="Magnetic-III_files/image003.png" o:title=""/>
1433</v:shape><![endif]--><![if !vml]><img border=0 width=432 height=266
1434src="Magnetic-III_files/image057.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1435
1436<p class=MsoNormal style='margin-left:.5in'><span class=GramE>and</span> the
1437plot window will show the powder pattern</p>
1438
1439<p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1440 id="Picture_x0020_6" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:324.75pt;
1441 height:335.25pt;visibility:visible;mso-wrap-style:square'>
1442 <v:imagedata src="Magnetic-III_files/image005.png" o:title=""/>
1443</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=447
1444src="Magnetic-III_files/image058.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1445
1446<p class=MsoNormal style='margin-left:.5in'>We will use the default limits.</p>
1447
1448<h3>Step 2. Read in the chemical structure for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub></h3>
1449
1450<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1451style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1452style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1453the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1454mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1455minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1456information for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub> into the current
1457GSAS-II project. The file you want is <b style='mso-bidi-font-weight:normal'><span
1458style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1459mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.cif</span></b>
1460and should be in your current directory. Other submenu items can read phase
1461information in other formats.<span style='mso-spacerun:yes'>  </span></p>
1462
1463<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1464style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1465style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1466the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1467mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1468minor-latin'>Ba6Co6.cif </span></b><span style='font-family:"Calibri",sans-serif;
1469mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1470minor-latin'>data</span> file in the first dialog and press <b
1471style='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'>Open</span></b>. There will be a Dialog box asking <span
1474class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1475"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1476minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1477style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1478mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1479minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1480style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1481mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1482minor-latin'>Yes</span></b></span> button to proceed. You will get the
1483opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1484normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1485minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>);
1486press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1487mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1488minor-latin'>OK</span></b> to continue.</p>
1489
1490<p class=MsoListParagraphCxSpLast>Next is the histogram selection window; this
1491connects the phase to the data so it can be used in subsequent calculations.<span
1492style='mso-no-proof:yes'> </span>Select the histogram (or press <b
1493style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1494mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1495minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
1496style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1497mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1498The General tab for the phase is shown next<br>
1499<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1500 o:spid="_x0000_i1052" type="#_x0000_t75" style='width:322.5pt;height:176.25pt;
1501 visibility:visible;mso-wrap-style:square'>
1502 <v:imagedata src="Magnetic-III_files/image007.png" o:title=""/>
1503</v:shape><![endif]--><![if !vml]><img border=0 width=430 height=235
1504src="Magnetic-III_files/image059.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1505
1506<h3>Step 3. Check powder pattern indexing</h3>
1507
1508<p class=MsoNormal>Here the objective is to determine how the reflection
1509positions generated from the chemical (“nuclear”) crystal structure lattice
1510match up with the peaks observed for this antiferromagnet. </p>
1511
1512<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1513style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1514mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Unit Cells
1515List</span></b> from the tree entries under the histogram (begins with PWDR);
1516the Indexing controls will be shown<br>
1517<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1518 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:359.25pt;height:121.5pt;
1519 visibility:visible;mso-wrap-style:square'>
1520 <v:imagedata src="Magnetic-III_files/image009.png" o:title=""/>
1521</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=162
1522src="Magnetic-III_files/image060.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1523
1524<p class=MsoNormal>This can use lattice parameters &amp; space groups to
1525generate expected reflection positions to check against the peaks in the powder
1526pattern. One could then enter <span class=SpellE>Bravais</span> lattice, choose
1527space group &amp; enter lattice parameters by hand, but the easy way is to use
1528the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1529style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1530mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1531Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1532appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1533style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1534mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>).
1535This was taken from the Phases present in this project; there could be more
1536than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1537normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1538minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1539menu item allows you to get lattice information from any one of the other phase
1540containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1541style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1542mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1543and the Indexing controls will be change<br>
1544<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
1545 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:357.75pt;height:114pt;
1546 visibility:visible;mso-wrap-style:square'>
1547 <v:imagedata src="Magnetic-III_files/image011.png" o:title=""/>
1548</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=152
1549src="Magnetic-III_files/image061.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1550
1551<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1552Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub> you had obtained from the <span
1553class=SpellE>cif</span> file and the powder pattern will change showing the
1554lines for P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1555   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1556   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1557   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1558   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
1559style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1560"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1561top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1562EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1563 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1564 <v:imagedata src="Magnetic-III_files/image035.png" o:title="" chromakey="white"/>
1565</v:shape><![endif]--><![if !vml]><img width=9 height=19
1566src="Magnetic-III_files/image036.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1567and those lattice parameters. </p>
1568
1569<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1570style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1571mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin;mso-no-proof:
1572yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1049"
1573 type="#_x0000_t75" style='width:354.75pt;height:366pt;visibility:visible;
1574 mso-wrap-style:square'>
1575 <v:imagedata src="Magnetic-III_files/image013.png" o:title=""/>
1576</v:shape><![endif]--><![if !vml]><img border=0 width=473 height=488
1577src="Magnetic-III_files/image062.gif" v:shapes="Picture_x0020_10"><![endif]></span></b></p>
1578
1579<p class=MsoNormal>I’ve expanded &amp; shifted the plot slightly to see that a
1580number of peaks are not indexed by this space group (NB: P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1581    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1582   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1583   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1584   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
1585style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1586"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1587top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1588EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1589 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1590 <v:imagedata src="Magnetic-III_files/image035.png" o:title="" chromakey="white"/>
1591</v:shape><![endif]--><![if !vml]><img width=9 height=19
1592src="Magnetic-III_files/image036.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1593lacks space group extinctions so there is no need to change it as in previous
1594tutorials) and lattice. Antiferromagnetic ordering may force an increase in the
1595unit cell dimensions (usually a doubling or tripling of one or more cell
1596dimensions) or by removing a space group centering. The effect on reciprocal
1597space of this is the appearance of extra reflections at positions that are half
1598(or third) way between those expected from the parent lattice; they are
1599described by a “propagation vector” (<span class=SpellE>kx<span class=GramE>,ky,kz</span></span>)
1600consisting of fractions (1/2, 1/3, etc.). To explore this possibility here, we
1601need to try doubling either <span class=GramE>a or</span> c axis and see the
1602effect on the powder pattern indexing. To try a-axis doubling add “<b
1603style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1604mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1605minor-latin'>*2</span></b>” to the end of the a-axis value; it will quickly
1606change to</p>
1607
1608<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1609 id="Picture_x0020_11" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:357pt;
1610 height:114pt;visibility:visible;mso-wrap-style:square'>
1611 <v:imagedata src="Magnetic-III_files/image015.png" o:title=""/>
1612</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=152
1613src="Magnetic-III_files/image063.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1614
1615<p class=MsoNormal>Notice that the a-axis (11.2974) is now twice the original
1616value (5.6487) and the plot shows the new indexing</p>
1617
1618<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1619 id="Picture_x0020_12" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:356.25pt;
1620 height:366.75pt;visibility:visible;mso-wrap-style:square'>
1621 <v:imagedata src="Magnetic-III_files/image017.png" o:title=""/>
1622</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=489
1623src="Magnetic-III_files/image064.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1624
1625<p class=MsoNormal>Clearly that did not index all the observed peaks, so we
1626want to try doubling the c-axis next. First add “<b style='mso-bidi-font-weight:
1627normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1628minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1629to the end of the a-axis value; it will quickly change back to the old value
1630(and redraw the plot). Then add “<b style='mso-bidi-font-weight:normal'><span
1631style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1632mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
1633to the end of the c-axis value; it will change to 28.9316 and the plot shows</p>
1634
1635<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1636 id="Picture_x0020_13" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:5in;
1637 height:369.75pt;visibility:visible;mso-wrap-style:square'>
1638 <v:imagedata src="Magnetic-III_files/image019.png" o:title=""/>
1639</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=493
1640src="Magnetic-III_files/image065.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
1641
1642<p class=MsoNormal>In this case every powder peak is indexed so a doubling of
1643the c-axis is required and thus the propagation vector is (0<span class=GramE>,0,1</span>/2);
1644just the reciprocal of the required axis operation. Add a<span
1645style='mso-spacerun:yes'>  </span>“<b style='mso-bidi-font-weight:normal'><span
1646style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1647mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1648to the c-axis entry or else redo the <b style='mso-bidi-font-weight:normal'><span
1649style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1650mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Load cell</span></b>
1651operation, because the next step requires the chemical cell and space group to
1652be entered here (<b style='mso-bidi-font-weight:normal'><span style='font-family:
1653"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1654minor-latin;mso-bidi-theme-font:minor-latin'>VERY IMPORTANT!</span></b>)</p>
1655
1656<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1657
1658<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1659crystallographic server so you must be connected to the internet. In the Cell
1660Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1661style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1662mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1663k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1664
1665<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1666 id="Picture_x0020_14" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:166.5pt;
1667 height:278.25pt;visibility:visible;mso-wrap-style:square'>
1668 <v:imagedata src="Magnetic-III_files/image021.png" o:title=""/>
1669</v:shape><![endif]--><![if !vml]><img border=0 width=222 height=371
1670src="Magnetic-III_files/image066.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
1671
1672<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1673space group (P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1674   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1675   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1676   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1677   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
1678style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1679"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1680top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1681EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1682 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1683 <v:imagedata src="Magnetic-III_files/image035.png" o:title="" chromakey="white"/>
1684</v:shape><![endif]--><![if !vml]><img width=9 height=19
1685src="Magnetic-III_files/image036.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2)
1686is taken from the Space Group entry on the Unit Cells window. Since we just
1687discovered the propagation vector as (0<span class=GramE>,0,1</span>/2) change <b
1688style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1689mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1690minor-latin'>kz1</span></b> to <b style='mso-bidi-font-weight:normal'><span
1691style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1692mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>œ</span></b>.
1693The available selections were determined by surveying the known magnetic
1694crystal structures given in the Bilbao Magnetic Structures database. Select <b
1695style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1696mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1697minor-latin'>Co</span></b> for the <b style='mso-bidi-font-weight:normal'><span
1698style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1699mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>test for mag
1700atoms</span></b> and then press <b style='mso-bidi-font-weight:normal'><span
1701style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1702mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1703A popup dialog will appear reminding you how to cite the Bilbao routine in any
1704paper you write using this facility.</p>
1705
1706<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1707 id="Picture_x0020_15" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:357.75pt;
1708 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1709 <v:imagedata src="Magnetic-III_files/image023.png" o:title=""/>
1710</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1711src="Magnetic-III_files/image067.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1712
1713<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1714style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1715mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1716the nag note will also appear on the console and after a pause, the console
1717will show “request OK” indicating that the Bilbao site has responded with some
1718results. GSAS-II will next display a File Dialog asking for a project name to
1719save this project; change the directory to a useful place for your work on this
1720tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1721normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1722minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.<o:p></o:p></span></b></p>
1723
1724<p class=MsoNormal>The GSAS-II data window will display the results from
1725k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1726this file is located in the same location as the powder data and <span
1727class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1728normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1729minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1730Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1731normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1732minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>”,
1733then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1734style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1735mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1736style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1737mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1738minor-latin'> as</span></b> to save it immediately in your working directory.).
1739The Unit Cells List window will show the results</p>
1740
1741<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1742 id="Picture_x0020_16" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:362.25pt;
1743 height:192pt;visibility:visible;mso-wrap-style:square'>
1744 <v:imagedata src="Magnetic-III_files/image025.png" o:title=""/>
1745</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=256
1746src="Magnetic-III_files/image068.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1747
1748<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1749style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1750mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1751on the first two entries; they both index every reflection. The two seem
1752identical except for the translation vector. Double click the row number for
1753the 1<sup>st</sup> one; a popup will appear</p>
1754
1755<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1756 id="Picture_x0020_17" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:304.5pt;
1757 height:329.25pt;visibility:visible;mso-wrap-style:square'>
1758 <v:imagedata src="Magnetic-III_files/image027.png" o:title=""/>
1759</v:shape><![endif]--><![if !vml]><img border=0 width=406 height=439
1760src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1761
1762<p class=MsoNormal>These are the magnetic symmetry operations for P<sub>c</sub>
1763-6 c 2. The subscript c on the lattice symbol indicates the c-axis magnetic
1764centering operation; see the entry “<b style='mso-bidi-font-weight:normal'><span
1765style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1766mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>for (0<span
1767class=GramE>,0,1</span>/2)+1’</span></b>”. The list of operators below it are
1768in red to indicate the spin inversion is applied for all of them. The Print Ops
1769button makes a full list on the console; these can be cut &amp; pasted into
1770other programs is needed. Press <b style='mso-bidi-font-weight:normal'><span
1771style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1772mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1773Since the 1<sup>st</sup> two solutions seem reasonable, we’ll try these.</p>
1774
1775<h3>Step 5. Select 1<sup>st</sup> magnetic structure</h3>
1776
1777<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1778style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1779mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>
1780phase from the GSAS-II data tree (under Phases). The General tab is shown for
1781this nuclear phase.</p>
1782
1783<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1784 id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:359.25pt;
1785 height:184.5pt;visibility:visible;mso-wrap-style:square'>
1786 <v:imagedata src="Magnetic-III_files/image029.png" o:title=""/>
1787</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
1788src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1789
1790<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1791style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1792mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1793magnetic phase</span></b>; that will make a small popup dialog</p>
1794
1795<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1796 id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:222.75pt;
1797 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1798 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
1799</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
1800src="Magnetic-III_files/image071.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1801
1802<p class=MsoNormal>This shows all magnetic phases that were marked <span
1803class=GramE>Keep</span> in the Unit Cells List; for each you see the
1804transformation and vector (the first two results will have the same space group
1805but are different translations). Select the 1<sup>st</sup> one and press <b
1806style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1807mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1808minor-latin'>OK</span></b>; a new popup dialog will appear.</p>
1809
1810<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1811 id="Picture_x0020_20" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:283.5pt;
1812 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1813 <v:imagedata src="Magnetic-III_files/image033.png" o:title=""/>
1814</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
1815src="Magnetic-III_files/image072.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1816
1817<p class=MsoNormal>Since the chemical phase had three Co atoms, having three
1818magnetic ones is no surprise. All have a possible magnetic moment; all <span
1819class=SpellE>Mz</span> only. Press <span class=GramE><b style='mso-bidi-font-weight:
1820normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1821minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
1822to use it. The project will be saved first, then a file dialog box will appear
1823offering a project name for this magnetic structure. It is named with the
1824number from the space group list (<b style='mso-bidi-font-weight:normal'><span
1825style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1826mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_1.gpx</span></b>);
1827press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1828mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1829minor-latin'>Save.</span></b> The new project will be opened to the General tab
1830for the P<sub>c</sub> <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1831    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1832   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1833   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1834   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
1835style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1836"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1837top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1838EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1839 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1840 <v:imagedata src="Magnetic-III_files/image035.png" o:title="" chromakey="white"/>
1841</v:shape><![endif]--><![if !vml]><img width=9 height=19
1842src="Magnetic-III_files/image036.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1843magnetic phase just created.</p>
1844
1845<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1846 id="Picture_x0020_21" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468.75pt;
1847 height:247.5pt;visibility:visible;mso-wrap-style:square'>
1848 <v:imagedata src="Magnetic-III_files/image037.png" o:title=""/>
1849</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=330
1850src="Magnetic-III_files/image073.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1851
1852<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1853style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1854mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1855for all three Co atoms <span class=SpellE>Mz</span> values. Then go to Draw
1856Atoms, select them all and do <span class=GramE><b style='mso-bidi-font-weight:
1857normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1858minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
1859style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1860mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1861minor-latin'> Figure/Fill unit cell</span></b>; you’ll see this
1862antiferromagnetic structure</p>
1863
1864<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1865 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:340.5pt;
1866 height:9in;visibility:visible;mso-wrap-style:square'>
1867 <v:imagedata src="Magnetic-III_files/image039.png" o:title=""/>
1868</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=864
1869src="Magnetic-III_files/image074.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1870
1871<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1872style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1873mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1874</span></b>for the initial refinement. An error popup will show</p>
1875
1876<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1877 id="Picture_x0020_23" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363.75pt;
1878 height:123pt;visibility:visible;mso-wrap-style:square'>
1879 <v:imagedata src="Magnetic-III_files/image041.png" o:title=""/>
1880</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=164
1881src="Magnetic-III_files/image075.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1882
1883<p class=MsoNormal>This is similar to what happened in the previous tutorial
1884(and is a bug). Press <b style='mso-bidi-font-weight:normal'><span
1885style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1886mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1887&amp; go to the Constraints entry; we’ll see this same message again. Press <b
1888style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1889mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1890minor-latin'>OK</span></b> and the constraints will show</p>
1891
1892<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1893 id="Picture_x0020_24" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:361.5pt;
1894 height:269.25pt;visibility:visible;mso-wrap-style:square'>
1895 <v:imagedata src="Magnetic-III_files/image043.png" o:title=""/>
1896</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=359
1897src="Magnetic-III_files/image076.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1898
1899<p class=MsoNormal>The actual conflict is the 2<sup>nd</sup> from last one “<b
1900style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1901mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1902minor-latin'>EQUIV 1::A0 = 1.000*0::A0</span></b>” which is a duplicate of the
1903one above it. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1904"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1905minor-latin;mso-bidi-theme-font:minor-latin'>Delete</span></b> it; the error is
1906cleared</p>
1907
1908<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1909 id="Picture_x0020_25" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:359.25pt;
1910 height:267pt;visibility:visible;mso-wrap-style:square'>
1911 <v:imagedata src="Magnetic-III_files/image045.png" o:title=""/>
1912</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=356
1913src="Magnetic-III_files/image077.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
1914
1915<p class=MsoNormal>Now try <b style='mso-bidi-font-weight:normal'><span
1916style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1917mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1918again. The <span class=SpellE>wR</span> ~18% with some intensity for all the
1919peaks in the pattern, but the magnetic moments are probably wrong. Go to the
1920magnetic phase Atoms tab and select refine <b style='mso-bidi-font-weight:normal'><span
1921style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1922mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
1923for all three Co atoms. Do <b style='mso-bidi-font-weight:normal'><span
1924style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1925mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1926again; the residual drops a bit but now the errors seem to be mostly peak
1927position. Go to the General tab for both phases and check the <b
1928style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1929mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1930minor-latin'>Refine unit cell</span></b> box for each. Then go to Sample
1931parameters for the PWDR data set, set goniometer radius to <b style='mso-bidi-font-weight:
1932normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1933minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>650</span></b>
1934and check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
1935"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1936minor-latin;mso-bidi-theme-font:minor-latin'>Sample X &amp; Y <span
1937class=SpellE>displ</span></span></b> parameters. Do <b style='mso-bidi-font-weight:
1938normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1939minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1940again; <span class=SpellE>wR</span> ~ 15% now. To finish the refinement,
1941include Instrument parameters <b style='mso-bidi-font-weight:normal'><span
1942style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1943mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U, V, W, X, Y
1944and SH/L</span></b>; use <b style='mso-bidi-font-weight:normal'><span
1945style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1946mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1947Background term and refine <b style='mso-bidi-font-weight:normal'><span
1948style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1949mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1950for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1951style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1952mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
1953in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1954style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1955mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1956my residual was <span class=SpellE>wR</span>=7.49% and the magnetic atoms
1957showed most of the moment on Co2_1 (<span class=SpellE>Mz</span> = 3.2) with
1958the other two much smaller. </p>
1959
1960<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1961 id="_x0000_i1033" type="#_x0000_t75" style='width:356.25pt;height:598.5pt;
1962 visibility:visible;mso-wrap-style:square'>
1963 <v:imagedata src="Magnetic-III_files/image047.png" o:title=""/>
1964</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=798
1965src="Magnetic-III_files/image078.gif" v:shapes="_x0000_i1033"><![endif]></span></p>
1966
1967<p class=MsoNormal>The fit to the powder pattern looks quite good</p>
1968
1969<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1970 id="_x0000_i1032" type="#_x0000_t75" style='width:5in;height:282.75pt;
1971 visibility:visible;mso-wrap-style:square'>
1972 <v:imagedata src="Magnetic-III_files/image049.png" o:title=""/>
1973</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=377
1974src="Magnetic-III_files/image079.gif" v:shapes="_x0000_i1032"><![endif]></span></p>
1975
1976<p class=MsoNormal>But we should try the other solution to see if it is better.
1977<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1978mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1979minor-latin'>Save</span></b> the project first.</p>
1980
1981<h3>Step 7. Select 2nd magnetic structure</h3>
1982
1983<p class=MsoNormal>To continue the selection process, we need to use the saved
1984project used for the first selection because it contains the table of possible
1985magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1986normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1987minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1988project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1989normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1990minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>;
1991you’ll see a reminder to save the old project (we just did this) and select the
1992<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1993mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1994minor-latin'>Ba6Co6</span></b> phase (should be the only one); the General tab
1995will be shown</p>
1996
1997<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1998 id="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;height:184.5pt;
1999 visibility:visible;mso-wrap-style:square'>
2000 <v:imagedata src="Magnetic-III_files/image051.png" o:title=""/>
2001</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
2002src="Magnetic-III_files/image080.gif" v:shapes="_x0000_i1031"><![endif]></span></p>
2003
2004<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2005style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2006mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2007magnetic phase</span></b> from the menu; the popup should look like</p>
2008
2009<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2010 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:222.75pt;
2011 height:222.75pt;visibility:visible;mso-wrap-style:square'>
2012 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
2013</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
2014src="Magnetic-III_files/image071.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
2015
2016<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
2017and press OK; a popup will appear</p>
2018
2019<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2020 id="Picture_x0020_27" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:283.5pt;
2021 height:123.75pt;visibility:visible;mso-wrap-style:square'>
2022 <v:imagedata src="Magnetic-III_files/image053.png" o:title=""/>
2023</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
2024src="Magnetic-III_files/image081.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
2025
2026<p class=MsoNormal>It looks very similar to what we had before; close
2027comparison will show these to be shifted on z by Œ. Press <span class=GramE><b
2028style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2029mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2030minor-latin'>Yes</span></b></span> to use them. The project will be saved and a
2031new project <b style='mso-bidi-font-weight:normal'><span style='font-family:
2032"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2033minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.gpx</span></b> will be
2034created. The General tab for this new phase will be shown</p>
2035
2036<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2037 id="Picture_x0020_28" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:363.75pt;
2038 height:186.75pt;visibility:visible;mso-wrap-style:square'>
2039 <v:imagedata src="Magnetic-III_files/image055.png" o:title=""/>
2040</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=249
2041src="Magnetic-III_files/image082.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
2042
2043<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mz</span>
2044for each Co atom to <b style='mso-bidi-font-weight:normal'><span
2045style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2046mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
2047Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic structure.
2048Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2049mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2050minor-latin'>Calculate/Refine</span></b> first – you’ll again have to correct
2051he constraints by deleting the duplicate one. Then set the <b style='mso-bidi-font-weight:
2052normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2053minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
2054refine flags for the magnetic 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/image083.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
2114mag_2.lst</span></b>. The 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/image085.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/image087.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> model,
2132the final <span class=SpellE>wR</span>=7.524% is slightly higher than for the 2<sup>nd</sup>
2133model. This concludes this tutorial; you probably want to <span class=GramE><b
2134style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2135mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2136minor-latin'>Save</span></b></span> both projects before closing GSAS-II.</p>
2137
2138</div>
2139
2140</body>
2141
2142</html>
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