source: Tutorials/Magnetic-III/Magnetic-III.htm @ 3700

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411  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
412  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
413  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
414  <w:LsdException Locked="false" Priority="34" QFormat="true"
415   Name="List Paragraph"/>
416  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
417  <w:LsdException Locked="false" Priority="30" QFormat="true"
418   Name="Intense Quote"/>
419  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
420  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
421  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
422  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
423  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
424  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
425  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
426  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
427  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
428  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
429  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
430  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
431  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
432  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
433  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
434  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
435  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
436  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
437  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
438  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
439  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
440  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
441  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
442  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
443  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
444  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
445  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
446  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
447  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
448  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
449  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
450  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
451  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
452  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
453  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
454  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
455  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
456  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
457  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
458  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
459  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
460  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
461  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
462  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
463  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
464  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
465  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
466  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
467  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
468  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
469  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
470  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
471  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
472  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
473  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
474  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
475  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
476  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
477  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
478  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
479  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
480  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
481  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
482  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
483  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
484  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
485  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
486  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
487  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
488  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
489  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
490  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
491  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
492  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
493  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
494  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
495  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
496  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
497  <w:LsdException Locked="false" Priority="19" QFormat="true"
498   Name="Subtle Emphasis"/>
499  <w:LsdException Locked="false" Priority="21" QFormat="true"
500   Name="Intense Emphasis"/>
501  <w:LsdException Locked="false" Priority="31" QFormat="true"
502   Name="Subtle Reference"/>
503  <w:LsdException Locked="false" Priority="32" QFormat="true"
504   Name="Intense Reference"/>
505  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
506  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
507   UnhideWhenUsed="true" Name="Bibliography"/>
508  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
509   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
510  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
511  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
512  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
513  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
514  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
515  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
516  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
517  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
518  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
519  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
520  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
521  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
522  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
523  <w:LsdException Locked="false" Priority="46"
524   Name="Grid Table 1 Light Accent 1"/>
525  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
526  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
527  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
528  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
529  <w:LsdException Locked="false" Priority="51"
530   Name="Grid Table 6 Colorful Accent 1"/>
531  <w:LsdException Locked="false" Priority="52"
532   Name="Grid Table 7 Colorful Accent 1"/>
533  <w:LsdException Locked="false" Priority="46"
534   Name="Grid Table 1 Light Accent 2"/>
535  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
536  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
537  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
538  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
539  <w:LsdException Locked="false" Priority="51"
540   Name="Grid Table 6 Colorful Accent 2"/>
541  <w:LsdException Locked="false" Priority="52"
542   Name="Grid Table 7 Colorful Accent 2"/>
543  <w:LsdException Locked="false" Priority="46"
544   Name="Grid Table 1 Light Accent 3"/>
545  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
546  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
547  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
548  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
549  <w:LsdException Locked="false" Priority="51"
550   Name="Grid Table 6 Colorful Accent 3"/>
551  <w:LsdException Locked="false" Priority="52"
552   Name="Grid Table 7 Colorful Accent 3"/>
553  <w:LsdException Locked="false" Priority="46"
554   Name="Grid Table 1 Light Accent 4"/>
555  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
556  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
557  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
558  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
559  <w:LsdException Locked="false" Priority="51"
560   Name="Grid Table 6 Colorful Accent 4"/>
561  <w:LsdException Locked="false" Priority="52"
562   Name="Grid Table 7 Colorful Accent 4"/>
563  <w:LsdException Locked="false" Priority="46"
564   Name="Grid Table 1 Light Accent 5"/>
565  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
566  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
567  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
568  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
569  <w:LsdException Locked="false" Priority="51"
570   Name="Grid Table 6 Colorful Accent 5"/>
571  <w:LsdException Locked="false" Priority="52"
572   Name="Grid Table 7 Colorful Accent 5"/>
573  <w:LsdException Locked="false" Priority="46"
574   Name="Grid Table 1 Light Accent 6"/>
575  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
576  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
577  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
578  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
579  <w:LsdException Locked="false" Priority="51"
580   Name="Grid Table 6 Colorful Accent 6"/>
581  <w:LsdException Locked="false" Priority="52"
582   Name="Grid Table 7 Colorful Accent 6"/>
583  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
584  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
585  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
586  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
587  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
588  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
589  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
590  <w:LsdException Locked="false" Priority="46"
591   Name="List Table 1 Light Accent 1"/>
592  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
593  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
594  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
595  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
596  <w:LsdException Locked="false" Priority="51"
597   Name="List Table 6 Colorful Accent 1"/>
598  <w:LsdException Locked="false" Priority="52"
599   Name="List Table 7 Colorful Accent 1"/>
600  <w:LsdException Locked="false" Priority="46"
601   Name="List Table 1 Light Accent 2"/>
602  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
603  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
604  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
605  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
606  <w:LsdException Locked="false" Priority="51"
607   Name="List Table 6 Colorful Accent 2"/>
608  <w:LsdException Locked="false" Priority="52"
609   Name="List Table 7 Colorful Accent 2"/>
610  <w:LsdException Locked="false" Priority="46"
611   Name="List Table 1 Light Accent 3"/>
612  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
613  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
614  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
615  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
616  <w:LsdException Locked="false" Priority="51"
617   Name="List Table 6 Colorful Accent 3"/>
618  <w:LsdException Locked="false" Priority="52"
619   Name="List Table 7 Colorful Accent 3"/>
620  <w:LsdException Locked="false" Priority="46"
621   Name="List Table 1 Light Accent 4"/>
622  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
623  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
624  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
625  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
626  <w:LsdException Locked="false" Priority="51"
627   Name="List Table 6 Colorful Accent 4"/>
628  <w:LsdException Locked="false" Priority="52"
629   Name="List Table 7 Colorful Accent 4"/>
630  <w:LsdException Locked="false" Priority="46"
631   Name="List Table 1 Light Accent 5"/>
632  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
633  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
634  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
635  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
636  <w:LsdException Locked="false" Priority="51"
637   Name="List Table 6 Colorful Accent 5"/>
638  <w:LsdException Locked="false" Priority="52"
639   Name="List Table 7 Colorful Accent 5"/>
640  <w:LsdException Locked="false" Priority="46"
641   Name="List Table 1 Light Accent 6"/>
642  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
643  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
644  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
645  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
646  <w:LsdException Locked="false" Priority="51"
647   Name="List Table 6 Colorful Accent 6"/>
648  <w:LsdException Locked="false" Priority="52"
649   Name="List Table 7 Colorful Accent 6"/>
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785        text-decoration:underline;
786        text-underline:single;}
787a:visited, span.MsoHyperlinkFollowed
788        {mso-style-noshow:yes;
789        mso-style-priority:99;
790        color:purple;
791        text-decoration:underline;
792        text-underline:single;}
793p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
794        {mso-style-noshow:yes;
795        mso-style-priority:99;
796        mso-style-link:"Document Map Char";
797        margin:0in;
798        margin-bottom:.0001pt;
799        mso-pagination:widow-orphan;
800        font-size:8.0pt;
801        font-family:"Tahoma",sans-serif;
802        mso-fareast-font-family:"Times New Roman";
803        mso-fareast-theme-font:minor-fareast;}
804p
805        {mso-style-noshow:yes;
806        mso-style-priority:99;
807        mso-margin-top-alt:auto;
808        margin-right:0in;
809        mso-margin-bottom-alt:auto;
810        margin-left:0in;
811        mso-pagination:widow-orphan;
812        font-size:12.0pt;
813        font-family:"Times New Roman",serif;
814        mso-fareast-font-family:"Times New Roman";
815        mso-fareast-theme-font:minor-fareast;}
816pre
817        {mso-style-noshow:yes;
818        mso-style-priority:99;
819        mso-style-link:"HTML Preformatted Char";
820        margin:0in;
821        margin-bottom:.0001pt;
822        mso-pagination:widow-orphan;
823        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;
824        font-size:10.0pt;
825        font-family:"Courier New";
826        mso-fareast-font-family:"Times New Roman";}
827p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
828        {mso-style-noshow:yes;
829        mso-style-priority:99;
830        mso-style-link:"Balloon Text Char";
831        margin:0in;
832        margin-bottom:.0001pt;
833        mso-pagination:widow-orphan;
834        font-size:8.0pt;
835        font-family:"Tahoma",sans-serif;
836        mso-fareast-font-family:"Times New Roman";
837        mso-fareast-theme-font:minor-fareast;}
838span.MsoPlaceholderText
839        {mso-style-noshow:yes;
840        mso-style-priority:99;
841        mso-style-unhide:no;
842        color:gray;}
843p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
844        {mso-style-noshow:yes;
845        mso-style-priority:1;
846        mso-style-unhide:no;
847        mso-style-qformat:yes;
848        mso-style-parent:"";
849        margin:0in;
850        margin-bottom:.0001pt;
851        mso-pagination:widow-orphan;
852        font-size:12.0pt;
853        font-family:"Times New Roman",serif;
854        mso-fareast-font-family:"Times New Roman";
855        mso-fareast-theme-font:minor-fareast;}
856p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
857        {mso-style-noshow:yes;
858        mso-style-priority:34;
859        mso-style-unhide:no;
860        mso-style-qformat:yes;
861        margin-top:0in;
862        margin-right:0in;
863        margin-bottom:0in;
864        margin-left:.5in;
865        margin-bottom:.0001pt;
866        mso-add-space:auto;
867        mso-pagination:widow-orphan;
868        font-size:12.0pt;
869        font-family:"Times New Roman",serif;
870        mso-fareast-font-family:"Times New Roman";
871        mso-fareast-theme-font:minor-fareast;}
872p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
873        {mso-style-noshow:yes;
874        mso-style-priority:34;
875        mso-style-unhide:no;
876        mso-style-qformat:yes;
877        mso-style-type:export-only;
878        margin-top:0in;
879        margin-right:0in;
880        margin-bottom:0in;
881        margin-left:.5in;
882        margin-bottom:.0001pt;
883        mso-add-space:auto;
884        mso-pagination:widow-orphan;
885        font-size:12.0pt;
886        font-family:"Times New Roman",serif;
887        mso-fareast-font-family:"Times New Roman";
888        mso-fareast-theme-font:minor-fareast;}
889p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
890        {mso-style-noshow:yes;
891        mso-style-priority:34;
892        mso-style-unhide:no;
893        mso-style-qformat:yes;
894        mso-style-type:export-only;
895        margin-top:0in;
896        margin-right:0in;
897        margin-bottom:0in;
898        margin-left:.5in;
899        margin-bottom:.0001pt;
900        mso-add-space:auto;
901        mso-pagination:widow-orphan;
902        font-size:12.0pt;
903        font-family:"Times New Roman",serif;
904        mso-fareast-font-family:"Times New Roman";
905        mso-fareast-theme-font:minor-fareast;}
906p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
907        {mso-style-noshow:yes;
908        mso-style-priority:34;
909        mso-style-unhide:no;
910        mso-style-qformat:yes;
911        mso-style-type:export-only;
912        margin-top:0in;
913        margin-right:0in;
914        margin-bottom:0in;
915        margin-left:.5in;
916        margin-bottom:.0001pt;
917        mso-add-space:auto;
918        mso-pagination:widow-orphan;
919        font-size:12.0pt;
920        font-family:"Times New Roman",serif;
921        mso-fareast-font-family:"Times New Roman";
922        mso-fareast-theme-font:minor-fareast;}
923span.MsoIntenseReference
924        {mso-style-priority:32;
925        mso-style-unhide:no;
926        mso-style-qformat:yes;
927        font-variant:small-caps;
928        color:#ED7D31;
929        mso-themecolor:accent2;
930        letter-spacing:.25pt;
931        font-weight:bold;
932        text-decoration:underline;
933        text-underline:single;}
934span.Heading1Char
935        {mso-style-name:"Heading 1 Char";
936        mso-style-priority:9;
937        mso-style-unhide:no;
938        mso-style-locked:yes;
939        mso-style-link:"Heading 1";
940        mso-ansi-font-size:24.0pt;
941        mso-bidi-font-size:24.0pt;
942        font-family:"Times New Roman",serif;
943        mso-ascii-font-family:"Times New Roman";
944        mso-fareast-font-family:"Times New Roman";
945        mso-fareast-theme-font:minor-fareast;
946        mso-hansi-font-family:"Times New Roman";
947        mso-bidi-font-family:"Times New Roman";
948        mso-font-kerning:18.0pt;
949        font-weight:bold;}
950span.Heading2Char
951        {mso-style-name:"Heading 2 Char";
952        mso-style-noshow:yes;
953        mso-style-priority:9;
954        mso-style-unhide:no;
955        mso-style-locked:yes;
956        mso-style-link:"Heading 2";
957        mso-ansi-font-size:18.0pt;
958        mso-bidi-font-size:18.0pt;
959        font-family:"Times New Roman",serif;
960        mso-ascii-font-family:"Times New Roman";
961        mso-fareast-font-family:"Times New Roman";
962        mso-fareast-theme-font:minor-fareast;
963        mso-hansi-font-family:"Times New Roman";
964        mso-bidi-font-family:"Times New Roman";
965        font-weight:bold;}
966span.Heading3Char
967        {mso-style-name:"Heading 3 Char";
968        mso-style-noshow:yes;
969        mso-style-priority:9;
970        mso-style-unhide:no;
971        mso-style-locked:yes;
972        mso-style-link:"Heading 3";
973        mso-ansi-font-size:13.5pt;
974        mso-bidi-font-size:13.5pt;
975        font-family:"Times New Roman",serif;
976        mso-ascii-font-family:"Times New Roman";
977        mso-fareast-font-family:"Times New Roman";
978        mso-fareast-theme-font:minor-fareast;
979        mso-hansi-font-family:"Times New Roman";
980        mso-bidi-font-family:"Times New Roman";
981        font-weight:bold;}
982span.Heading4Char
983        {mso-style-name:"Heading 4 Char";
984        mso-style-noshow:yes;
985        mso-style-priority:9;
986        mso-style-unhide:no;
987        mso-style-locked:yes;
988        mso-style-link:"Heading 4";
989        mso-ansi-font-size:13.0pt;
990        mso-bidi-font-size:13.0pt;
991        font-family:"Calibri Light",sans-serif;
992        mso-ascii-font-family:"Calibri Light";
993        mso-ascii-theme-font:major-latin;
994        mso-fareast-font-family:"Times New Roman";
995        mso-fareast-theme-font:major-fareast;
996        mso-hansi-font-family:"Calibri Light";
997        mso-hansi-theme-font:major-latin;
998        mso-bidi-font-family:"Times New Roman";
999        mso-bidi-theme-font:major-bidi;
1000        color:#5B9BD5;
1001        mso-themecolor:accent1;
1002        font-weight:bold;
1003        font-style:italic;}
1004span.Heading5Char
1005        {mso-style-name:"Heading 5 Char";
1006        mso-style-noshow:yes;
1007        mso-style-priority:9;
1008        mso-style-unhide:no;
1009        mso-style-locked:yes;
1010        mso-style-link:"Heading 5";
1011        mso-ansi-font-size:12.0pt;
1012        mso-bidi-font-size:12.0pt;
1013        font-family:"Times New Roman",serif;
1014        mso-ascii-font-family:"Times New Roman";
1015        mso-fareast-font-family:"Times New Roman";
1016        mso-fareast-theme-font:minor-fareast;
1017        mso-hansi-font-family:"Times New Roman";
1018        mso-bidi-font-family:"Times New Roman";
1019        color:#4F4FFF;
1020        font-weight:bold;}
1021span.HTMLPreformattedChar
1022        {mso-style-name:"HTML Preformatted Char";
1023        mso-style-noshow:yes;
1024        mso-style-priority:99;
1025        mso-style-unhide:no;
1026        mso-style-locked:yes;
1027        mso-style-link:"HTML Preformatted";
1028        mso-ansi-font-size:10.0pt;
1029        mso-bidi-font-size:10.0pt;
1030        font-family:"Courier New";
1031        mso-ascii-font-family:"Courier New";
1032        mso-fareast-font-family:"Times New Roman";
1033        mso-hansi-font-family:"Courier New";
1034        mso-bidi-font-family:"Courier New";}
1035p.msonormal0, li.msonormal0, div.msonormal0
1036        {mso-style-name:msonormal;
1037        mso-style-noshow:yes;
1038        mso-style-priority:99;
1039        mso-style-unhide:no;
1040        mso-margin-top-alt:auto;
1041        margin-right:0in;
1042        mso-margin-bottom-alt:auto;
1043        margin-left:0in;
1044        mso-pagination:widow-orphan;
1045        font-size:12.0pt;
1046        font-family:"Times New Roman",serif;
1047        mso-fareast-font-family:"Times New Roman";
1048        mso-fareast-theme-font:minor-fareast;}
1049span.DocumentMapChar
1050        {mso-style-name:"Document Map Char";
1051        mso-style-noshow:yes;
1052        mso-style-priority:99;
1053        mso-style-unhide:no;
1054        mso-style-locked:yes;
1055        mso-style-link:"Document Map";
1056        mso-ansi-font-size:8.0pt;
1057        mso-bidi-font-size:8.0pt;
1058        font-family:"Tahoma",sans-serif;
1059        mso-ascii-font-family:Tahoma;
1060        mso-fareast-font-family:"Times New Roman";
1061        mso-fareast-theme-font:minor-fareast;
1062        mso-hansi-font-family:Tahoma;
1063        mso-bidi-font-family:Tahoma;}
1064span.BalloonTextChar
1065        {mso-style-name:"Balloon Text Char";
1066        mso-style-noshow:yes;
1067        mso-style-priority:99;
1068        mso-style-unhide:no;
1069        mso-style-locked:yes;
1070        mso-style-link:"Balloon Text";
1071        mso-ansi-font-size:8.0pt;
1072        mso-bidi-font-size:8.0pt;
1073        font-family:"Tahoma",sans-serif;
1074        mso-ascii-font-family:Tahoma;
1075        mso-fareast-font-family:"Times New Roman";
1076        mso-fareast-theme-font:minor-fareast;
1077        mso-hansi-font-family:Tahoma;
1078        mso-bidi-font-family:Tahoma;}
1079span.GSAS-IItextChar
1080        {mso-style-name:"GSAS-II text Char";
1081        mso-style-unhide:no;
1082        mso-style-locked:yes;
1083        mso-style-link:"GSAS-II text";
1084        mso-ansi-font-size:12.0pt;
1085        mso-bidi-font-size:12.0pt;
1086        font-family:"Times New Roman",serif;
1087        mso-ascii-font-family:"Times New Roman";
1088        mso-fareast-font-family:"Times New Roman";
1089        mso-fareast-theme-font:minor-fareast;
1090        mso-hansi-font-family:"Times New Roman";
1091        mso-bidi-font-family:Calibri;
1092        mso-bidi-theme-font:minor-latin;
1093        font-weight:bold;
1094        mso-bidi-font-weight:normal;}
1095p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1096        {mso-style-name:"GSAS-II text";
1097        mso-style-noshow:yes;
1098        mso-style-priority:99;
1099        mso-style-unhide:no;
1100        mso-style-link:"GSAS-II text Char";
1101        margin:0in;
1102        margin-bottom:.0001pt;
1103        mso-pagination:widow-orphan;
1104        font-size:12.0pt;
1105        font-family:"Calibri",sans-serif;
1106        mso-ascii-font-family:Calibri;
1107        mso-ascii-theme-font:minor-latin;
1108        mso-fareast-font-family:"Times New Roman";
1109        mso-fareast-theme-font:minor-fareast;
1110        mso-hansi-font-family:Calibri;
1111        mso-hansi-theme-font:minor-latin;
1112        mso-bidi-font-family:Calibri;
1113        mso-bidi-theme-font:minor-latin;
1114        font-weight:bold;
1115        mso-bidi-font-weight:normal;}
1116span.SpellE
1117        {mso-style-name:"";
1118        mso-spl-e:yes;}
1119span.GramE
1120        {mso-style-name:"";
1121        mso-gram-e:yes;}
1122.MsoChpDefault
1123        {mso-style-type:export-only;
1124        mso-default-props:yes;
1125        font-size:10.0pt;
1126        mso-ansi-font-size:10.0pt;
1127        mso-bidi-font-size:10.0pt;
1128        font-family:"Calibri",sans-serif;
1129        mso-ascii-font-family:Calibri;
1130        mso-ascii-theme-font:minor-latin;
1131        mso-fareast-font-family:Calibri;
1132        mso-fareast-theme-font:minor-latin;
1133        mso-hansi-font-family:Calibri;
1134        mso-hansi-theme-font:minor-latin;
1135        mso-bidi-font-family:"Times New Roman";
1136        mso-bidi-theme-font:minor-bidi;}
1137@page WordSection1
1138        {size:8.5in 11.0in;
1139        margin:1.0in 1.0in 1.0in 1.0in;
1140        mso-header-margin:.5in;
1141        mso-footer-margin:.5in;
1142        mso-paper-source:0;}
1143div.WordSection1
1144        {page:WordSection1;}
1145 /* List Definitions */
1146 @list l0
1147        {mso-list-id:202911215;
1148        mso-list-type:hybrid;
1149        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1150@list l0:level1
1151        {mso-level-tab-stop:none;
1152        mso-level-number-position:left;
1153        text-indent:-.25in;}
1154@list l0:level2
1155        {mso-level-number-format:alpha-lower;
1156        mso-level-tab-stop:none;
1157        mso-level-number-position:left;
1158        text-indent:-.25in;}
1159@list l0:level3
1160        {mso-level-number-format:roman-lower;
1161        mso-level-tab-stop:none;
1162        mso-level-number-position:right;
1163        text-indent:-9.0pt;}
1164@list l0:level4
1165        {mso-level-tab-stop:none;
1166        mso-level-number-position:left;
1167        text-indent:-.25in;}
1168@list l0:level5
1169        {mso-level-number-format:alpha-lower;
1170        mso-level-tab-stop:none;
1171        mso-level-number-position:left;
1172        text-indent:-.25in;}
1173@list l0:level6
1174        {mso-level-number-format:roman-lower;
1175        mso-level-tab-stop:none;
1176        mso-level-number-position:right;
1177        text-indent:-9.0pt;}
1178@list l0:level7
1179        {mso-level-tab-stop:none;
1180        mso-level-number-position:left;
1181        text-indent:-.25in;}
1182@list l0:level8
1183        {mso-level-number-format:alpha-lower;
1184        mso-level-tab-stop:none;
1185        mso-level-number-position:left;
1186        text-indent:-.25in;}
1187@list l0:level9
1188        {mso-level-number-format:roman-lower;
1189        mso-level-tab-stop:none;
1190        mso-level-number-position:right;
1191        text-indent:-9.0pt;}
1192@list l1
1193        {mso-list-id:479426291;
1194        mso-list-type:hybrid;
1195        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1196@list l1:level1
1197        {mso-level-tab-stop:none;
1198        mso-level-number-position:left;
1199        text-indent:-.25in;}
1200@list l1:level2
1201        {mso-level-number-format:alpha-lower;
1202        mso-level-tab-stop:none;
1203        mso-level-number-position:left;
1204        text-indent:-.25in;}
1205@list l1:level3
1206        {mso-level-number-format:roman-lower;
1207        mso-level-tab-stop:none;
1208        mso-level-number-position:right;
1209        text-indent:-9.0pt;}
1210@list l1:level4
1211        {mso-level-tab-stop:none;
1212        mso-level-number-position:left;
1213        text-indent:-.25in;}
1214@list l1:level5
1215        {mso-level-number-format:alpha-lower;
1216        mso-level-tab-stop:none;
1217        mso-level-number-position:left;
1218        text-indent:-.25in;}
1219@list l1:level6
1220        {mso-level-number-format:roman-lower;
1221        mso-level-tab-stop:none;
1222        mso-level-number-position:right;
1223        text-indent:-9.0pt;}
1224@list l1:level7
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1273</head>
1274
1275<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1276
1277<div class=WordSection1>
1278
1279<h1>Magnetic Structures in GSAS-II - III</h1>
1280
1281<h2>Introduction</h2>
1282
1283<p class=MsoNormal>In this tutorials, we continue showing how GSAS-II makes use
1284of the Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1285<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1286k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1287style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1288class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1289class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1290Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1291while determining a magnetic crystal structure with a non-zero propagation
1292vector. If you have not done so already, you may wish to do the Simple Magnetic
1293Structures tutorial first as it contains some background information that will
1294not be covered here. It is also helpful to do parts I and II of the series of Magnetic
1295Structures tutorials. To make this work, your computer must have an internet
1296connection for GSAS-II to access this site. (We will supply the project file
1297that results after k-SUBGROUPSMAG is called in case you lack internet access).</p>
1298
1299<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1300 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1320 style='width:359.25pt;height:369pt;visibility:visible;mso-wrap-style:square'>
1321 <v:imagedata src="Magnetic-III_files/image001.png" o:title=""/>
1322</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=492
1323src="Magnetic-III_files/image004.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1324
1325<p class=MsoNormal>In this example, we will determine the magnetic structure
1326for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>15.5</sub> from neutron data taken on
1327the D1b diffractometer (ILL, Grenoble, France) at 1.4K and &#955;=2.394 Å and
1328is based on Example 12.2 in the Jana2006 Cookbook (<span class=SpellE>Dušek</span>,
1329et al., 2017).<span style='mso-spacerun:yes'>  </span>Its magnetic structure
1330was originally determined by <span class=SpellE>Mentré</span>, et al. (<span
1331class=SpellE>Mentré</span>, O., Kauffmann, M., <span class=SpellE>Ehora</span>,
1332G., <span class=SpellE>Daviero-Minaud</span>, S., Abraham F. &amp; <span
1333class=SpellE>Roussel</span>, P. (2008). <i>Solid State Sciences </i><b>10</b>,
1334471-475). The chemical structure is P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1335    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1336   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1337   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1338   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
1339style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1340"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1341top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1342EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1343 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1344 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1345</v:shape><![endif]--><![if !vml]><img width=9 height=19
1346src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1347with a= 5.64870 Å and c= 5.64870 Å. From the structure drawing above, you can
1348see a tetrameric string of face sharing CoO<sub>6</sub> <span class=SpellE>octahedra</span>
1349and a separate CoO<sub>4</sub> tetrahedron with one disordered oxygen position
1350and it appears to order <span class=SpellE>antiferromagnetically</span> at low
1351temperature. Of interest is whether both tetrahedral and octahedral Co atoms
1352carry magnetic moments and how the moments are arranged. As we will see, in
1353this case the magnetic space group is a subgroup of the parent chemical one
1354after a doubling of the c-axis. We will use k-SUBGROUPSMAG to help sort this
1355out.</p>
1356
1357<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1358
1359<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1360about the internet connection!).</p>
1361
1362<h3>Step 1. Read in the data file</h3>
1363
1364<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1365style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1366style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1367the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1368mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1369minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1370Fit2D chi file</span></b> menu item to read the data file into the current
1371GSAS-II project. Because you used <span style='mso-fareast-font-family:Calibri;
1372mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1373normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1374minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1375mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1376style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1377menu entry to open this page and downloaded the exercise files (recommended),
1378then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1379"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1380Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-III/data/...</span></b><span
1381style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1382entry will bring you to the location where the files have been downloaded. (It
1383is also possible to download them manually from <a
1384href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/</a>.
1385In this case you will need to navigate to the download location manually.)<br>
1386For this tutorial the extension on the data file is the expected one, so it
1387should be immediately visible.</span></p>
1388
1389<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1390style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1391style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1392the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1393mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1394minor-latin'>Ba6Co6.xye</span></b><span style='font-family:"Calibri",sans-serif;
1395mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1396minor-latin'> data</span> file in the first dialog and press <b
1397style='mso-bidi-font-weight:normal'><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'>Open</span></b>. There will be a Dialog box asking <span
1400class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1401"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1402minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1403style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1404mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1405minor-latin'> this the file you want?</span></b> Press <span class=GramE><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'>Yes</span></b></span> button to proceed.</p>
1409
1410<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1411style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1412style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1413this data file does not define an instrument parameter file, a file dialog will
1414appear for you to select the correct instrument parameter file. Select <b
1415style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1416mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1417minor-latin'>D1B.PRM</span></b>; you may have to change the file type in the
1418file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1419style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1420mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1421class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1422style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1423mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1424minor-latin'>GSAS-II data tree</span></b> window will have several entries</p>
1425
1426<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1427 id="Picture_x0020_5" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:324pt;
1428 height:199.5pt;visibility:visible;mso-wrap-style:square'>
1429 <v:imagedata src="Magnetic-III_files/image003.png" o:title=""/>
1430</v:shape><![endif]--><![if !vml]><img border=0 width=432 height=266
1431src="Magnetic-III_files/image021.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1432
1433<p class=MsoNormal style='margin-left:.5in'><span class=GramE>and</span> the
1434plot window will show the powder pattern</p>
1435
1436<p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1437 id="Picture_x0020_6" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:324.75pt;
1438 height:335.25pt;visibility:visible;mso-wrap-style:square'>
1439 <v:imagedata src="Magnetic-III_files/image005.png" o:title=""/>
1440</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=447
1441src="Magnetic-III_files/image025.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1442
1443<p class=MsoNormal style='margin-left:.5in'>We will use the default limits.</p>
1444
1445<h3>Step 2. Read in the chemical structure for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub></h3>
1446
1447<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1448style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1449style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1450the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1451mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1452minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1453information for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>15.5</sub> into the current
1454GSAS-II project. The file you want is <b style='mso-bidi-font-weight:normal'><span
1455style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1456mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.cif</span></b>
1457and should be in your current directory. Other submenu items can read phase
1458information in other formats.<span style='mso-spacerun:yes'>  </span></p>
1459
1460<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1461style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1462style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1463the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1464mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1465minor-latin'>Ba6Co6.cif </span></b><span style='font-family:"Calibri",sans-serif;
1466mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1467minor-latin'>data</span> file in the first dialog and press <b
1468style='mso-bidi-font-weight:normal'><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'>Open</span></b>. There will be a Dialog box asking <span
1471class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1472"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1473minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1474style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1475mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1476minor-latin'> this the file you want?</span></b> Press <span class=GramE><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'>Yes</span></b></span> button to proceed. You will get the
1480opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1481normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1482minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>);
1483press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1484mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1485minor-latin'>OK</span></b> to continue.</p>
1486
1487<p class=MsoListParagraphCxSpLast>Next is the histogram selection window; this
1488connects the phase to the data so it can be used in subsequent calculations.<span
1489style='mso-no-proof:yes'> </span>Select the histogram (or press <b
1490style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1491mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1492minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
1493style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1494mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1495The General tab for the phase is shown next<br>
1496<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1497 o:spid="_x0000_i1049" type="#_x0000_t75" style='width:322.5pt;height:176.25pt;
1498 visibility:visible;mso-wrap-style:square'>
1499 <v:imagedata src="Magnetic-III_files/image007.png" o:title=""/>
1500</v:shape><![endif]--><![if !vml]><img border=0 width=430 height=235
1501src="Magnetic-III_files/image028.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1502
1503<h3>Step 3. Check powder pattern indexing</h3>
1504
1505<p class=MsoNormal>Here the objective is to determine how the reflection
1506positions generated from the chemical (“nuclear”) crystal structure lattice
1507match up with the peaks observed for this antiferromagnet. Select <b
1508style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1509mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1510minor-latin'>Unit Cells List</span></b> from the tree entries under the
1511histogram (begins with PWDR); the Indexing controls will be shown<br>
1512<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1513 o:spid="_x0000_i1048" type="#_x0000_t75" style='width:359.25pt;height:121.5pt;
1514 visibility:visible;mso-wrap-style:square'>
1515 <v:imagedata src="Magnetic-III_files/image009.png" o:title=""/>
1516</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=162
1517src="Magnetic-III_files/image057.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1518
1519<p class=MsoNormal>This can use lattice parameters &amp; space groups to
1520generate expected reflection positions to check against the peaks in the powder
1521pattern. One could then enter <span class=SpellE>Bravais</span> lattice, choose
1522space group &amp; enter lattice parameters by hand, but the easy way is to use
1523the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1524style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1525mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1526Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1527appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1528style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1529mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>).
1530This was taken from the Phases present in this project; there could be more
1531than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1532normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1533minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1534menu item allows you to get lattice information from any one of the other phase
1535containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1536style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1537mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1538and the Indexing controls will be change<br>
1539<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
1540 o:spid="_x0000_i1047" type="#_x0000_t75" style='width:357.75pt;height:114pt;
1541 visibility:visible;mso-wrap-style:square'>
1542 <v:imagedata src="Magnetic-III_files/image011.png" o:title=""/>
1543</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=152
1544src="Magnetic-III_files/image058.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1545
1546<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1547Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>15.5</sub> you had obtained from the <span
1548class=SpellE>cif</span> file and the powder pattern will change showing the
1549lines for P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1550   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1551   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1552   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1553   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
1554style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1555"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1556top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1557EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1558 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1559 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1560</v:shape><![endif]--><![if !vml]><img width=9 height=19
1561src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1562and those lattice parameters. </p>
1563
1564<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1565style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1566mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin;mso-no-proof:
1567yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1046"
1568 type="#_x0000_t75" style='width:354.75pt;height:366pt;visibility:visible;
1569 mso-wrap-style:square'>
1570 <v:imagedata src="Magnetic-III_files/image013.png" o:title=""/>
1571</v:shape><![endif]--><![if !vml]><img border=0 width=473 height=488
1572src="Magnetic-III_files/image059.gif" v:shapes="Picture_x0020_10"><![endif]></span></b></p>
1573
1574<p class=MsoNormal>I’ve expanded &amp; shifted the plot slightly to see that a
1575number of peaks are not indexed by this space group (NB: P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1576    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1577   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1578   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1579   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
1580style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1581"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1582top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1583EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1584 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1585 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1586</v:shape><![endif]--><![if !vml]><img width=9 height=19
1587src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1588lacks space group extinctions so there is no need to change it as in previous
1589tutorials) and lattice. Antiferromagnetic ordering may force an increase in the
1590unit cell dimensions (usually a doubling or tripling of one or more cell
1591dimensions) or by removing a space group centering. The effect on reciprocal
1592space of this is the appearance of extra reflections at positions that are half
1593(or third) way between those expected from the parent lattice; they are
1594described by a “propagation vector” (<span class=SpellE>kx<span class=GramE>,ky,kz</span></span>)
1595consisting of fractions (1/2, 1/3, etc.). To explore this possibility here, we
1596need to try doubling either a- or c-axis and see the effect on the powder
1597pattern indexing. To try a-axis doubling add “<b style='mso-bidi-font-weight:
1598normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1599minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
1600to the end of the a-axis value; it will quickly change to</p>
1601
1602<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1603 id="Picture_x0020_11" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:357pt;
1604 height:114pt;visibility:visible;mso-wrap-style:square'>
1605 <v:imagedata src="Magnetic-III_files/image015.png" o:title=""/>
1606</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=152
1607src="Magnetic-III_files/image060.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1608
1609<p class=MsoNormal>Notice that the a-axis (11.2974) is now twice the original
1610value (5.6487) and the plot shows the new indexing</p>
1611
1612<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1613 id="Picture_x0020_12" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:356.25pt;
1614 height:366.75pt;visibility:visible;mso-wrap-style:square'>
1615 <v:imagedata src="Magnetic-III_files/image017.png" o:title=""/>
1616</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=489
1617src="Magnetic-III_files/image061.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1618
1619<p class=MsoNormal>Clearly that did not index all the observed peaks, so we
1620want to try doubling the c-axis next. First add “<b style='mso-bidi-font-weight:
1621normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1622minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1623to the end of the a-axis value; it will quickly change back to the old value
1624(and redraw the plot). Then add “<b style='mso-bidi-font-weight:normal'><span
1625style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1626mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
1627to the end of the c-axis value; it will change to 28.9316 and the plot shows</p>
1628
1629<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1630 id="Picture_x0020_13" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:5in;
1631 height:369.75pt;visibility:visible;mso-wrap-style:square'>
1632 <v:imagedata src="Magnetic-III_files/image019.png" o:title=""/>
1633</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=493
1634src="Magnetic-III_files/image062.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
1635
1636<p class=MsoNormal>In this case every powder peak is indexed so a doubling of
1637the c-axis is required and thus the propagation vector is (0<span class=GramE>,0,1</span>/2);
1638just the reciprocal of the required axis operation. Add a<span
1639style='mso-spacerun:yes'>  </span>“<b style='mso-bidi-font-weight:normal'><span
1640style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1641mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1642to the c-axis entry or else redo the <b style='mso-bidi-font-weight:normal'><span
1643style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1644mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Load cell</span></b>
1645operation, because the next step requires the correct chemical cell and space
1646group to be entered here (<b style='mso-bidi-font-weight:normal'><span
1647style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1648mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>VERY
1649IMPORTANT!</span></b>)</p>
1650
1651<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1652
1653<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1654crystallographic server so you must be connected to the internet. In the Cell
1655Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1656style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1657mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1658k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1659
1660<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1661 id="Picture_x0020_32" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:207.75pt;
1662 height:225.75pt;visibility:visible;mso-wrap-style:square'>
1663 <v:imagedata src="Magnetic-III_files/image030.png" o:title=""/>
1664</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
1665src="Magnetic-III_files/image063.gif" v:shapes="Picture_x0020_32"><![endif]></span></p>
1666
1667<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1668space group (P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1669   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1670   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1671   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1672   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
1673style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1674"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1675top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1676EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1677 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1678 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1679</v:shape><![endif]--><![if !vml]><img width=9 height=19
1680src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2)
1681is taken from the Space Group entry on the Unit Cells window. Since we just
1682discovered the propagation vector is (0<span class=GramE>,0,1</span>/2) change <b
1683style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1684mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1685minor-latin'>kz1</span></b> to <b style='mso-bidi-font-weight:normal'><span
1686style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1687mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>œ</span></b>.
1688The available selections were determined by surveying the known magnetic
1689crystal structures given in the Bilbao Magnetic Structures database. Select <b
1690style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1691mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1692minor-latin'>Co</span></b> for the <b style='mso-bidi-font-weight:normal'><span
1693style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1694mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>test for mag
1695atoms</span></b> and then press <b style='mso-bidi-font-weight:normal'><span
1696style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1697mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1698A popup dialog will appear reminding you how to cite the Bilbao routine in any
1699paper you write using this facility.</p>
1700
1701<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1702 id="_x0000_i1041" type="#_x0000_t75" style='width:357.75pt;height:123.75pt;
1703 visibility:visible;mso-wrap-style:square'>
1704 <v:imagedata src="Magnetic-III_files/image023.png" o:title=""/>
1705</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1706src="Magnetic-III_files/image064.gif" v:shapes="_x0000_i1041"><![endif]></span></p>
1707
1708<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1709style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1710mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1711the nag note will also appear on the console and after a pause, the console
1712will show “request OK” indicating that the Bilbao site has responded with some
1713results. GSAS-II will next display a File Dialog asking for a project name to
1714save this project; change the directory to a useful place for your work on this
1715tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1716normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1717minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.<o:p></o:p></span></b></p>
1718
1719<p class=MsoNormal>The GSAS-II data window will display the results from
1720k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1721this file is located in the same location as the powder data and <span
1722class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1723normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1724minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1725Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1726normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1727minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>”,
1728then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1729style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1730mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1731style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1732mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1733minor-latin'> as</span></b> to save it immediately in your working directory.).
1734The Unit Cells List window will show the results</p>
1735
1736<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1737 id="Picture_x0020_33" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:360.75pt;
1738 height:293.25pt;visibility:visible;mso-wrap-style:square'>
1739 <v:imagedata src="Magnetic-III_files/image066.png" o:title=""/>
1740</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=391
1741src="Magnetic-III_files/image065.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
1742
1743<p class=MsoNormal>Notice that the number of unique magnetic atoms is either 3
1744or 6; this should be no surprise since the chemical structure has 3 unique Co
1745atoms. Use the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1746"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1747minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b> on the first two
1748entries; they both index every reflection. The two seem identical except for
1749the translation vector. Double click the row number for the 1<sup>st</sup> one;
1750a popup will appear</p>
1751
1752<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1753 id="Picture_x0020_14" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:304.5pt;
1754 height:330pt;visibility:visible;mso-wrap-style:square'>
1755 <v:imagedata src="Magnetic-III_files/image027.png" o:title=""/>
1756</v:shape><![endif]--><![if !vml]><img border=0 width=406 height=440
1757src="Magnetic-III_files/image067.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
1758
1759<p class=MsoNormal>These are the magnetic symmetry operations for P<sub>c</sub>
1760-6 c 2. The subscript c on the lattice symbol indicates the c-axis magnetic
1761centering operation; see the entry “<b style='mso-bidi-font-weight:normal'><span
1762style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1763mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>for (0<span
1764class=GramE>,0,1</span>/2)+1’</span></b>”. The list of operators below it are
1765in red to indicate the spin inversion is applied for all of them. The Print Ops
1766button makes a full list on the console; these can be cut &amp; pasted into
1767other programs as needed. Press <b style='mso-bidi-font-weight:normal'><span
1768style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1769mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1770Since the 1<sup>st</sup> two solutions seem reasonable, we’ll try these.</p>
1771
1772<h3>Step 5. Select 1<sup>st</sup> magnetic structure</h3>
1773
1774<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1775style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1776mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>
1777phase from the GSAS-II data tree (under Phases). The General tab is shown for
1778this nuclear phase.</p>
1779
1780<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1781 id="Picture_x0020_15" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:359.25pt;
1782 height:184.5pt;visibility:visible;mso-wrap-style:square'>
1783 <v:imagedata src="Magnetic-III_files/image029.png" o:title=""/>
1784</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
1785src="Magnetic-III_files/image068.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1786
1787<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1788style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1789mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1790magnetic/subgroup phase</span></b>; that will make a small popup dialog</p>
1791
1792<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1793 id="Picture_x0020_16" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:222.75pt;
1794 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1795 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
1796</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
1797src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1798
1799<p class=MsoNormal>This shows all magnetic phases that were marked Keep in the
1800Unit Cells List; for each you see the transformation and vector (the first two
1801results will have the same space group but different translations). Select the
18021<sup>st</sup> one and press <b style='mso-bidi-font-weight:normal'><span
1803style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1804mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
1805a new popup dialog will appear.</p>
1806
1807<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1808 id="Picture_x0020_17" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:283.5pt;
1809 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1810 <v:imagedata src="Magnetic-III_files/image033.png" o:title=""/>
1811</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
1812src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1813
1814<p class=MsoNormal>Since the chemical phase had three Co atoms, having three
1815magnetic ones is no surprise. All have a possible magnetic moment; all <span
1816class=SpellE>Mz</span> only. Press <span class=GramE><b style='mso-bidi-font-weight:
1817normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1818minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
1819to use it. The project will be saved first, then a file dialog box will appear
1820offering a project name for this magnetic structure. It is named with the
1821number from the space group list (<b style='mso-bidi-font-weight:normal'><span
1822style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1823mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6
1824mag_1.gpx</span></b>); press <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'>Save.</span></b>
1827The new project will be opened to the General tab for the P<sub>c</sub> <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1828    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1829   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1830   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1831   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
1832style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1833"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1834top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1835EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1836 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1837 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1838</v:shape><![endif]--><![if !vml]><img width=9 height=19
1839src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1840magnetic phase just created.</p>
1841
1842<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1843 id="Picture_x0020_18" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468.75pt;
1844 height:247.5pt;visibility:visible;mso-wrap-style:square'>
1845 <v:imagedata src="Magnetic-III_files/image037.png" o:title=""/>
1846</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=330
1847src="Magnetic-III_files/image071.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1848
1849<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1850style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1851mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1852for all three Co atoms <span class=SpellE>Mz</span> values. Then go to Draw
1853Atoms, select them all and do <span class=GramE><b style='mso-bidi-font-weight:
1854normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1855minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
1856style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1857mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1858minor-latin'> Figure/Fill unit cell</span></b>; you’ll see this
1859antiferromagnetic structure</p>
1860
1861<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1862 id="Picture_x0020_19" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:340.5pt;
1863 height:9in;visibility:visible;mso-wrap-style:square'>
1864 <v:imagedata src="Magnetic-III_files/image039.png" o:title=""/>
1865</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=864
1866src="Magnetic-III_files/image072.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1867
1868<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1869style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1870mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1871</span></b>for the initial refinement. The <span class=SpellE>wR</span> ~18%
1872with some intensity for all the peaks in the pattern, but the magnetic moments
1873are probably wrong. Go to the magnetic phase Atoms tab and select refine <b
1874style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1875mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1876minor-latin'>M</span></b> for all three Co atoms. Do <b style='mso-bidi-font-weight:
1877normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1878minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1879again; the residual drops a bit but now the errors seem to be mostly peak
1880position. Go to the General tab for both phases and check the <b
1881style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1882mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1883minor-latin'>Refine unit cell</span></b> box for each. Then go to Sample
1884parameters for the PWDR data set, set goniometer radius to <b style='mso-bidi-font-weight:
1885normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1886minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>650</span></b>
1887and check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
1888"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1889minor-latin;mso-bidi-theme-font:minor-latin'>Sample X &amp; Y <span
1890class=SpellE>displ</span></span></b> parameters. Do <b style='mso-bidi-font-weight:
1891normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1892minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1893again; <span class=SpellE>wR</span> ~ 13.6% now. To finish the refinement,
1894include Instrument parameters <b style='mso-bidi-font-weight:normal'><span
1895style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1896mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U, V, W, X, Y
1897and SH/L</span></b>; use <b style='mso-bidi-font-weight:normal'><span
1898style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1899mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1900Background term and refine <b style='mso-bidi-font-weight:normal'><span
1901style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1902mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1903for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1904style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1905mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
1906in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1907style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1908mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1909my residual was <span class=SpellE>wR</span>=7.67% and the magnetic atoms
1910showed most of the moment on Co2_1 (<span class=SpellE>Mz</span> = 3.2) with
1911the other two much smaller. </p>
1912
1913<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1914 id="Picture_x0020_23" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:356.25pt;
1915 height:599.25pt;visibility:visible;mso-wrap-style:square'>
1916 <v:imagedata src="Magnetic-III_files/image047.png" o:title=""/>
1917</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=799
1918src="Magnetic-III_files/image073.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1919
1920<p class=MsoNormal>The fit to the powder pattern looks quite good</p>
1921
1922<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1923 id="Picture_x0020_24" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:5in;
1924 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1925 <v:imagedata src="Magnetic-III_files/image049.png" o:title=""/>
1926</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=377
1927src="Magnetic-III_files/image074.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1928
1929<p class=MsoNormal>But we should try the other solution to see if it is better.
1930<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1931mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1932minor-latin'>Save</span></b> the project first.</p>
1933
1934<h3>Step 7. Select 2nd magnetic structure</h3>
1935
1936<p class=MsoNormal>To continue the selection process, we need to use the saved
1937project used for the first selection because it contains the table of possible
1938magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1939normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1940minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1941project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1942normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1943minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>;
1944you’ll see a reminder to save the old project (we just did this) and select the
1945<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1946mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1947minor-latin'>Ba6Co6</span></b> phase (should be the only one); the General tab
1948will be shown</p>
1949
1950<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1951 id="Picture_x0020_25" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;
1952 height:185.25pt;visibility:visible;mso-wrap-style:square'>
1953 <v:imagedata src="Magnetic-III_files/image051.png" o:title=""/>
1954</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=247
1955src="Magnetic-III_files/image075.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
1956
1957<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1958style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1959mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1960magnetic phase</span></b> from the menu; the popup should look like</p>
1961
1962<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1963 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:222.75pt;
1964 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1965 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
1966</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
1967src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
1968
1969<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
1970and press OK; a popup will appear</p>
1971
1972<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1973 id="Picture_x0020_27" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:283.5pt;
1974 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1975 <v:imagedata src="Magnetic-III_files/image053.png" o:title=""/>
1976</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
1977src="Magnetic-III_files/image076.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
1978
1979<p class=MsoNormal>It looks very similar to what we had before; close
1980comparison will show these to be shifted on z by Œ. Press <span class=GramE><b
1981style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1982mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1983minor-latin'>Yes</span></b></span> to use them. The project will be saved and a
1984new project <b style='mso-bidi-font-weight:normal'><span style='font-family:
1985"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1986minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.gpx</span></b> will
1987be created. The General tab for this new phase will be shown</p>
1988
1989<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1990 id="Picture_x0020_28" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:363pt;
1991 height:186.75pt;visibility:visible;mso-wrap-style:square'>
1992 <v:imagedata src="Magnetic-III_files/image055.png" o:title=""/>
1993</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=249
1994src="Magnetic-III_files/image077.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
1995
1996<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mz</span>
1997for each Co atom to <b style='mso-bidi-font-weight:normal'><span
1998style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1999mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
2000Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic
2001structure. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
2002"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2003minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> first.
2004Then set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2005"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2006minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b> refine flags for the
2007magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
2008style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2009mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2010Add <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2011mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2012minor-latin'>sample X &amp; Y displacements</span></b> (radius = <b
2013style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2014mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2015minor-latin'>650</span></b>) and both lattice parameters; do <b
2016style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2017mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2018minor-latin'>Calculate/Refine</span></b>. Then add Instrument parameters <b
2019style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2020mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2021minor-latin'>U, V, W, X, Y &amp; SH/L</span></b>; do <b style='mso-bidi-font-weight:
2022normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2023minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2024Finally use <b style='mso-bidi-font-weight:normal'><span style='font-family:
2025"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2026minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> background coefficients
2027and refine <b style='mso-bidi-font-weight:normal'><span style='font-family:
2028"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2029minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b> for the chemical
2030phase atoms and <b style='mso-bidi-font-weight:normal'><span style='font-family:
2031"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2032minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b> for the magnetic
2033atoms. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2034mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2035minor-latin'>Calculate/Refine</span></b> a few times until it converges. I got <span
2036class=SpellE>wR</span> = 7.47% which is only slightly better than the result
2037for the first model. In this case the tetrahedral Co atom carries the large
2038magnetic moment while the octahedral ones have nearly zero moment. This is
2039probably the better model because it is similar to the magnetic structures
2040found for related materials. We can see if the moment is fully on the
2041tetrahedral Co; set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2042style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2043mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span><b
2044style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2045mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2046minor-latin'>=0</span></b> for the other two and set their refinement flags to
2047just <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2048mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2049minor-latin'>XU</span></b>. Do <b style='mso-bidi-font-weight:normal'><span
2050style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2051mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2052My final <span class=SpellE>wR</span>=7.476% shows that probably all the
2053magnetic moment is on the tetrahedral Co atoms. The Atoms list </p>
2054
2055<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2056 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:361.5pt;
2057 height:82.5pt;visibility:visible;mso-wrap-style:square'>
2058 <v:imagedata src="Magnetic-III_files/image084.png" o:title=""/>
2059</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=110
2060src="Magnetic-III_files/image078.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
2061
2062<p class=MsoNormal><span class=GramE>gives</span> <span class=SpellE>Mz</span>=3.347(43);
2063the <span class=SpellE>esd</span> is from <b style='mso-bidi-font-weight:normal'><span
2064style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2065mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6
2066mag_2.lst</span></b>. The structure is then</p>
2067
2068<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2069 id="Picture_x0020_30" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:177.75pt;
2070 height:5in;visibility:visible;mso-wrap-style:square'>
2071 <v:imagedata src="Magnetic-III_files/image086.png" o:title=""/>
2072</v:shape><![endif]--><![if !vml]><img border=0 width=237 height=480
2073src="Magnetic-III_files/image079.gif" v:shapes="Picture_x0020_30"><![endif]><!--[if gte vml 1]><v:shape
2074 id="Picture_x0020_31" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:187.5pt;
2075 height:358.5pt;visibility:visible;mso-wrap-style:square'>
2076 <v:imagedata src="Magnetic-III_files/image088.png" o:title=""/>
2077</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=478
2078src="Magnetic-III_files/image080.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
2079
2080<p class=MsoNormal>I’ve placed the doubled c-axis chemical structure so you can
2081see the relationship between them.</p>
2082
2083<p class=MsoNormal>If I impose a similar constraint for the 1<sup>st</sup>
2084model, the final <span class=SpellE>wR</span>=7.524% is slightly higher than
2085for the 2<sup>nd</sup> model. This concludes this tutorial; you probably want
2086to <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2087style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2088mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span>
2089both projects before closing GSAS-II.</p>
2090
2091</div>
2092
2093</body>
2094
2095</html>
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