source: Tutorials/Magnetic-III/Magnetic-III.htm @ 3642

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411  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
412  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
413  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
414  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
415  <w:LsdException Locked="false" Priority="34" QFormat="true"
416   Name="List Paragraph"/>
417  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
418  <w:LsdException Locked="false" Priority="30" QFormat="true"
419   Name="Intense Quote"/>
420  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
421  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
422  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
423  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
424  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
425  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
426  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
427  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
428  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
429  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
430  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
431  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
432  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
433  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
434  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
435  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
436  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
437  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
438  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
439  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
440  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
441  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
442  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
443  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
444  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
445  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
446  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
447  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
448  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
449  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
450  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
451  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
452  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
453  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
454  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
455  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
456  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
457  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
458  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
459  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
460  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
461  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
462  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
463  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
464  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
465  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
466  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
467  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
468  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
469  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
470  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
471  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
472  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
473  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
474  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
475  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
476  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
477  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
478  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
479  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
480  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
481  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
482  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
483  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
484  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
485  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
486  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
487  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
488  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
489  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
490  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
491  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
492  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
493  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
494  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
495  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
496  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
497  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
498  <w:LsdException Locked="false" Priority="19" QFormat="true"
499   Name="Subtle Emphasis"/>
500  <w:LsdException Locked="false" Priority="21" QFormat="true"
501   Name="Intense Emphasis"/>
502  <w:LsdException Locked="false" Priority="31" QFormat="true"
503   Name="Subtle Reference"/>
504  <w:LsdException Locked="false" Priority="32" QFormat="true"
505   Name="Intense Reference"/>
506  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
507  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
508   UnhideWhenUsed="true" Name="Bibliography"/>
509  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
510   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
511  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
512  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
513  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
514  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
515  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
516  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
517  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
518  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
519  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
520  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
521  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
522  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
523  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
524  <w:LsdException Locked="false" Priority="46"
525   Name="Grid Table 1 Light Accent 1"/>
526  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
527  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
528  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
529  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
530  <w:LsdException Locked="false" Priority="51"
531   Name="Grid Table 6 Colorful Accent 1"/>
532  <w:LsdException Locked="false" Priority="52"
533   Name="Grid Table 7 Colorful Accent 1"/>
534  <w:LsdException Locked="false" Priority="46"
535   Name="Grid Table 1 Light Accent 2"/>
536  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
537  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
538  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
539  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
540  <w:LsdException Locked="false" Priority="51"
541   Name="Grid Table 6 Colorful Accent 2"/>
542  <w:LsdException Locked="false" Priority="52"
543   Name="Grid Table 7 Colorful Accent 2"/>
544  <w:LsdException Locked="false" Priority="46"
545   Name="Grid Table 1 Light Accent 3"/>
546  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
547  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
548  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
549  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
550  <w:LsdException Locked="false" Priority="51"
551   Name="Grid Table 6 Colorful Accent 3"/>
552  <w:LsdException Locked="false" Priority="52"
553   Name="Grid Table 7 Colorful Accent 3"/>
554  <w:LsdException Locked="false" Priority="46"
555   Name="Grid Table 1 Light Accent 4"/>
556  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
557  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
558  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
559  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
560  <w:LsdException Locked="false" Priority="51"
561   Name="Grid Table 6 Colorful Accent 4"/>
562  <w:LsdException Locked="false" Priority="52"
563   Name="Grid Table 7 Colorful Accent 4"/>
564  <w:LsdException Locked="false" Priority="46"
565   Name="Grid Table 1 Light Accent 5"/>
566  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
567  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
568  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
569  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
570  <w:LsdException Locked="false" Priority="51"
571   Name="Grid Table 6 Colorful Accent 5"/>
572  <w:LsdException Locked="false" Priority="52"
573   Name="Grid Table 7 Colorful Accent 5"/>
574  <w:LsdException Locked="false" Priority="46"
575   Name="Grid Table 1 Light Accent 6"/>
576  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
577  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
578  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
579  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
580  <w:LsdException Locked="false" Priority="51"
581   Name="Grid Table 6 Colorful Accent 6"/>
582  <w:LsdException Locked="false" Priority="52"
583   Name="Grid Table 7 Colorful Accent 6"/>
584  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
585  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
586  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
587  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
588  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
589  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
590  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
591  <w:LsdException Locked="false" Priority="46"
592   Name="List Table 1 Light Accent 1"/>
593  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
594  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
595  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
596  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
597  <w:LsdException Locked="false" Priority="51"
598   Name="List Table 6 Colorful Accent 1"/>
599  <w:LsdException Locked="false" Priority="52"
600   Name="List Table 7 Colorful Accent 1"/>
601  <w:LsdException Locked="false" Priority="46"
602   Name="List Table 1 Light Accent 2"/>
603  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
604  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
605  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
606  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
607  <w:LsdException Locked="false" Priority="51"
608   Name="List Table 6 Colorful Accent 2"/>
609  <w:LsdException Locked="false" Priority="52"
610   Name="List Table 7 Colorful Accent 2"/>
611  <w:LsdException Locked="false" Priority="46"
612   Name="List Table 1 Light Accent 3"/>
613  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
614  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
615  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
616  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
617  <w:LsdException Locked="false" Priority="51"
618   Name="List Table 6 Colorful Accent 3"/>
619  <w:LsdException Locked="false" Priority="52"
620   Name="List Table 7 Colorful Accent 3"/>
621  <w:LsdException Locked="false" Priority="46"
622   Name="List Table 1 Light Accent 4"/>
623  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
624  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
625  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
626  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
627  <w:LsdException Locked="false" Priority="51"
628   Name="List Table 6 Colorful Accent 4"/>
629  <w:LsdException Locked="false" Priority="52"
630   Name="List Table 7 Colorful Accent 4"/>
631  <w:LsdException Locked="false" Priority="46"
632   Name="List Table 1 Light Accent 5"/>
633  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
634  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
635  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
636  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
637  <w:LsdException Locked="false" Priority="51"
638   Name="List Table 6 Colorful Accent 5"/>
639  <w:LsdException Locked="false" Priority="52"
640   Name="List Table 7 Colorful Accent 5"/>
641  <w:LsdException Locked="false" Priority="46"
642   Name="List Table 1 Light Accent 6"/>
643  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
644  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
645  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
646  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
647  <w:LsdException Locked="false" Priority="51"
648   Name="List Table 6 Colorful Accent 6"/>
649  <w:LsdException Locked="false" Priority="52"
650   Name="List Table 7 Colorful Accent 6"/>
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784        mso-style-priority:99;
785        color:blue;
786        text-decoration:underline;
787        text-underline:single;}
788a:visited, span.MsoHyperlinkFollowed
789        {mso-style-noshow:yes;
790        mso-style-priority:99;
791        color:purple;
792        text-decoration:underline;
793        text-underline:single;}
794p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
795        {mso-style-noshow:yes;
796        mso-style-priority:99;
797        mso-style-link:"Document Map Char";
798        margin:0in;
799        margin-bottom:.0001pt;
800        mso-pagination:widow-orphan;
801        font-size:8.0pt;
802        font-family:"Tahoma",sans-serif;
803        mso-fareast-font-family:"Times New Roman";
804        mso-fareast-theme-font:minor-fareast;}
805p
806        {mso-style-noshow:yes;
807        mso-style-priority:99;
808        mso-margin-top-alt:auto;
809        margin-right:0in;
810        mso-margin-bottom-alt:auto;
811        margin-left:0in;
812        mso-pagination:widow-orphan;
813        font-size:12.0pt;
814        font-family:"Times New Roman",serif;
815        mso-fareast-font-family:"Times New Roman";
816        mso-fareast-theme-font:minor-fareast;}
817pre
818        {mso-style-noshow:yes;
819        mso-style-priority:99;
820        mso-style-link:"HTML Preformatted Char";
821        margin:0in;
822        margin-bottom:.0001pt;
823        mso-pagination:widow-orphan;
824        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;
825        font-size:10.0pt;
826        font-family:"Courier New";
827        mso-fareast-font-family:"Times New Roman";}
828p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
829        {mso-style-noshow:yes;
830        mso-style-priority:99;
831        mso-style-link:"Balloon Text Char";
832        margin:0in;
833        margin-bottom:.0001pt;
834        mso-pagination:widow-orphan;
835        font-size:8.0pt;
836        font-family:"Tahoma",sans-serif;
837        mso-fareast-font-family:"Times New Roman";
838        mso-fareast-theme-font:minor-fareast;}
839span.MsoPlaceholderText
840        {mso-style-noshow:yes;
841        mso-style-priority:99;
842        mso-style-unhide:no;
843        color:gray;}
844p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
845        {mso-style-noshow:yes;
846        mso-style-priority:1;
847        mso-style-unhide:no;
848        mso-style-qformat:yes;
849        mso-style-parent:"";
850        margin:0in;
851        margin-bottom:.0001pt;
852        mso-pagination:widow-orphan;
853        font-size:12.0pt;
854        font-family:"Times New Roman",serif;
855        mso-fareast-font-family:"Times New Roman";
856        mso-fareast-theme-font:minor-fareast;}
857p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
858        {mso-style-noshow:yes;
859        mso-style-priority:34;
860        mso-style-unhide:no;
861        mso-style-qformat:yes;
862        margin-top:0in;
863        margin-right:0in;
864        margin-bottom:0in;
865        margin-left:.5in;
866        margin-bottom:.0001pt;
867        mso-add-space:auto;
868        mso-pagination:widow-orphan;
869        font-size:12.0pt;
870        font-family:"Times New Roman",serif;
871        mso-fareast-font-family:"Times New Roman";
872        mso-fareast-theme-font:minor-fareast;}
873p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
874        {mso-style-noshow:yes;
875        mso-style-priority:34;
876        mso-style-unhide:no;
877        mso-style-qformat:yes;
878        mso-style-type:export-only;
879        margin-top:0in;
880        margin-right:0in;
881        margin-bottom:0in;
882        margin-left:.5in;
883        margin-bottom:.0001pt;
884        mso-add-space:auto;
885        mso-pagination:widow-orphan;
886        font-size:12.0pt;
887        font-family:"Times New Roman",serif;
888        mso-fareast-font-family:"Times New Roman";
889        mso-fareast-theme-font:minor-fareast;}
890p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
891        {mso-style-noshow:yes;
892        mso-style-priority:34;
893        mso-style-unhide:no;
894        mso-style-qformat:yes;
895        mso-style-type:export-only;
896        margin-top:0in;
897        margin-right:0in;
898        margin-bottom:0in;
899        margin-left:.5in;
900        margin-bottom:.0001pt;
901        mso-add-space:auto;
902        mso-pagination:widow-orphan;
903        font-size:12.0pt;
904        font-family:"Times New Roman",serif;
905        mso-fareast-font-family:"Times New Roman";
906        mso-fareast-theme-font:minor-fareast;}
907p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
908        {mso-style-noshow:yes;
909        mso-style-priority:34;
910        mso-style-unhide:no;
911        mso-style-qformat:yes;
912        mso-style-type:export-only;
913        margin-top:0in;
914        margin-right:0in;
915        margin-bottom:0in;
916        margin-left:.5in;
917        margin-bottom:.0001pt;
918        mso-add-space:auto;
919        mso-pagination:widow-orphan;
920        font-size:12.0pt;
921        font-family:"Times New Roman",serif;
922        mso-fareast-font-family:"Times New Roman";
923        mso-fareast-theme-font:minor-fareast;}
924span.MsoIntenseReference
925        {mso-style-priority:32;
926        mso-style-unhide:no;
927        mso-style-qformat:yes;
928        font-variant:small-caps;
929        color:#ED7D31;
930        mso-themecolor:accent2;
931        letter-spacing:.25pt;
932        font-weight:bold;
933        text-decoration:underline;
934        text-underline:single;}
935span.Heading1Char
936        {mso-style-name:"Heading 1 Char";
937        mso-style-priority:9;
938        mso-style-unhide:no;
939        mso-style-locked:yes;
940        mso-style-link:"Heading 1";
941        mso-ansi-font-size:24.0pt;
942        mso-bidi-font-size:24.0pt;
943        font-family:"Times New Roman",serif;
944        mso-ascii-font-family:"Times New Roman";
945        mso-fareast-font-family:"Times New Roman";
946        mso-fareast-theme-font:minor-fareast;
947        mso-hansi-font-family:"Times New Roman";
948        mso-bidi-font-family:"Times New Roman";
949        mso-font-kerning:18.0pt;
950        font-weight:bold;}
951span.Heading2Char
952        {mso-style-name:"Heading 2 Char";
953        mso-style-noshow:yes;
954        mso-style-priority:9;
955        mso-style-unhide:no;
956        mso-style-locked:yes;
957        mso-style-link:"Heading 2";
958        mso-ansi-font-size:18.0pt;
959        mso-bidi-font-size:18.0pt;
960        font-family:"Times New Roman",serif;
961        mso-ascii-font-family:"Times New Roman";
962        mso-fareast-font-family:"Times New Roman";
963        mso-fareast-theme-font:minor-fareast;
964        mso-hansi-font-family:"Times New Roman";
965        mso-bidi-font-family:"Times New Roman";
966        font-weight:bold;}
967span.Heading3Char
968        {mso-style-name:"Heading 3 Char";
969        mso-style-noshow:yes;
970        mso-style-priority:9;
971        mso-style-unhide:no;
972        mso-style-locked:yes;
973        mso-style-link:"Heading 3";
974        mso-ansi-font-size:13.5pt;
975        mso-bidi-font-size:13.5pt;
976        font-family:"Times New Roman",serif;
977        mso-ascii-font-family:"Times New Roman";
978        mso-fareast-font-family:"Times New Roman";
979        mso-fareast-theme-font:minor-fareast;
980        mso-hansi-font-family:"Times New Roman";
981        mso-bidi-font-family:"Times New Roman";
982        font-weight:bold;}
983span.Heading4Char
984        {mso-style-name:"Heading 4 Char";
985        mso-style-noshow:yes;
986        mso-style-priority:9;
987        mso-style-unhide:no;
988        mso-style-locked:yes;
989        mso-style-link:"Heading 4";
990        mso-ansi-font-size:13.0pt;
991        mso-bidi-font-size:13.0pt;
992        font-family:"Calibri Light",sans-serif;
993        mso-ascii-font-family:"Calibri Light";
994        mso-ascii-theme-font:major-latin;
995        mso-fareast-font-family:"Times New Roman";
996        mso-fareast-theme-font:major-fareast;
997        mso-hansi-font-family:"Calibri Light";
998        mso-hansi-theme-font:major-latin;
999        mso-bidi-font-family:"Times New Roman";
1000        mso-bidi-theme-font:major-bidi;
1001        color:#5B9BD5;
1002        mso-themecolor:accent1;
1003        font-weight:bold;
1004        font-style:italic;}
1005span.Heading5Char
1006        {mso-style-name:"Heading 5 Char";
1007        mso-style-noshow:yes;
1008        mso-style-priority:9;
1009        mso-style-unhide:no;
1010        mso-style-locked:yes;
1011        mso-style-link:"Heading 5";
1012        mso-ansi-font-size:12.0pt;
1013        mso-bidi-font-size:12.0pt;
1014        font-family:"Times New Roman",serif;
1015        mso-ascii-font-family:"Times New Roman";
1016        mso-fareast-font-family:"Times New Roman";
1017        mso-fareast-theme-font:minor-fareast;
1018        mso-hansi-font-family:"Times New Roman";
1019        mso-bidi-font-family:"Times New Roman";
1020        color:#4F4FFF;
1021        font-weight:bold;}
1022span.HTMLPreformattedChar
1023        {mso-style-name:"HTML Preformatted Char";
1024        mso-style-noshow:yes;
1025        mso-style-priority:99;
1026        mso-style-unhide:no;
1027        mso-style-locked:yes;
1028        mso-style-link:"HTML Preformatted";
1029        mso-ansi-font-size:10.0pt;
1030        mso-bidi-font-size:10.0pt;
1031        font-family:"Courier New";
1032        mso-ascii-font-family:"Courier New";
1033        mso-fareast-font-family:"Times New Roman";
1034        mso-hansi-font-family:"Courier New";
1035        mso-bidi-font-family:"Courier New";}
1036p.msonormal0, li.msonormal0, div.msonormal0
1037        {mso-style-name:msonormal;
1038        mso-style-noshow:yes;
1039        mso-style-priority:99;
1040        mso-style-unhide:no;
1041        mso-margin-top-alt:auto;
1042        margin-right:0in;
1043        mso-margin-bottom-alt:auto;
1044        margin-left:0in;
1045        mso-pagination:widow-orphan;
1046        font-size:12.0pt;
1047        font-family:"Times New Roman",serif;
1048        mso-fareast-font-family:"Times New Roman";
1049        mso-fareast-theme-font:minor-fareast;}
1050span.DocumentMapChar
1051        {mso-style-name:"Document Map Char";
1052        mso-style-noshow:yes;
1053        mso-style-priority:99;
1054        mso-style-unhide:no;
1055        mso-style-locked:yes;
1056        mso-style-link:"Document Map";
1057        mso-ansi-font-size:8.0pt;
1058        mso-bidi-font-size:8.0pt;
1059        font-family:"Tahoma",sans-serif;
1060        mso-ascii-font-family:Tahoma;
1061        mso-fareast-font-family:"Times New Roman";
1062        mso-fareast-theme-font:minor-fareast;
1063        mso-hansi-font-family:Tahoma;
1064        mso-bidi-font-family:Tahoma;}
1065span.BalloonTextChar
1066        {mso-style-name:"Balloon Text Char";
1067        mso-style-noshow:yes;
1068        mso-style-priority:99;
1069        mso-style-unhide:no;
1070        mso-style-locked:yes;
1071        mso-style-link:"Balloon Text";
1072        mso-ansi-font-size:8.0pt;
1073        mso-bidi-font-size:8.0pt;
1074        font-family:"Tahoma",sans-serif;
1075        mso-ascii-font-family:Tahoma;
1076        mso-fareast-font-family:"Times New Roman";
1077        mso-fareast-theme-font:minor-fareast;
1078        mso-hansi-font-family:Tahoma;
1079        mso-bidi-font-family:Tahoma;}
1080span.GSAS-IItextChar
1081        {mso-style-name:"GSAS-II text Char";
1082        mso-style-unhide:no;
1083        mso-style-locked:yes;
1084        mso-style-link:"GSAS-II text";
1085        mso-ansi-font-size:12.0pt;
1086        mso-bidi-font-size:12.0pt;
1087        font-family:"Times New Roman",serif;
1088        mso-ascii-font-family:"Times New Roman";
1089        mso-fareast-font-family:"Times New Roman";
1090        mso-fareast-theme-font:minor-fareast;
1091        mso-hansi-font-family:"Times New Roman";
1092        mso-bidi-font-family:Calibri;
1093        mso-bidi-theme-font:minor-latin;
1094        font-weight:bold;
1095        mso-bidi-font-weight:normal;}
1096p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1097        {mso-style-name:"GSAS-II text";
1098        mso-style-noshow:yes;
1099        mso-style-priority:99;
1100        mso-style-unhide:no;
1101        mso-style-link:"GSAS-II text Char";
1102        margin:0in;
1103        margin-bottom:.0001pt;
1104        mso-pagination:widow-orphan;
1105        font-size:12.0pt;
1106        font-family:"Calibri",sans-serif;
1107        mso-ascii-font-family:Calibri;
1108        mso-ascii-theme-font:minor-latin;
1109        mso-fareast-font-family:"Times New Roman";
1110        mso-fareast-theme-font:minor-fareast;
1111        mso-hansi-font-family:Calibri;
1112        mso-hansi-theme-font:minor-latin;
1113        mso-bidi-font-family:Calibri;
1114        mso-bidi-theme-font:minor-latin;
1115        font-weight:bold;
1116        mso-bidi-font-weight:normal;}
1117span.SpellE
1118        {mso-style-name:"";
1119        mso-spl-e:yes;}
1120span.GramE
1121        {mso-style-name:"";
1122        mso-gram-e:yes;}
1123.MsoChpDefault
1124        {mso-style-type:export-only;
1125        mso-default-props:yes;
1126        font-size:10.0pt;
1127        mso-ansi-font-size:10.0pt;
1128        mso-bidi-font-size:10.0pt;
1129        font-family:"Calibri",sans-serif;
1130        mso-ascii-font-family:Calibri;
1131        mso-ascii-theme-font:minor-latin;
1132        mso-fareast-font-family:Calibri;
1133        mso-fareast-theme-font:minor-latin;
1134        mso-hansi-font-family:Calibri;
1135        mso-hansi-theme-font:minor-latin;
1136        mso-bidi-font-family:"Times New Roman";
1137        mso-bidi-theme-font:minor-bidi;}
1138@page WordSection1
1139        {size:8.5in 11.0in;
1140        margin:1.0in 1.0in 1.0in 1.0in;
1141        mso-header-margin:.5in;
1142        mso-footer-margin:.5in;
1143        mso-paper-source:0;}
1144div.WordSection1
1145        {page:WordSection1;}
1146 /* List Definitions */
1147 @list l0
1148        {mso-list-id:202911215;
1149        mso-list-type:hybrid;
1150        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1151@list l0:level1
1152        {mso-level-tab-stop:none;
1153        mso-level-number-position:left;
1154        text-indent:-.25in;}
1155@list l0:level2
1156        {mso-level-number-format:alpha-lower;
1157        mso-level-tab-stop:none;
1158        mso-level-number-position:left;
1159        text-indent:-.25in;}
1160@list l0:level3
1161        {mso-level-number-format:roman-lower;
1162        mso-level-tab-stop:none;
1163        mso-level-number-position:right;
1164        text-indent:-9.0pt;}
1165@list l0:level4
1166        {mso-level-tab-stop:none;
1167        mso-level-number-position:left;
1168        text-indent:-.25in;}
1169@list l0:level5
1170        {mso-level-number-format:alpha-lower;
1171        mso-level-tab-stop:none;
1172        mso-level-number-position:left;
1173        text-indent:-.25in;}
1174@list l0:level6
1175        {mso-level-number-format:roman-lower;
1176        mso-level-tab-stop:none;
1177        mso-level-number-position:right;
1178        text-indent:-9.0pt;}
1179@list l0:level7
1180        {mso-level-tab-stop:none;
1181        mso-level-number-position:left;
1182        text-indent:-.25in;}
1183@list l0:level8
1184        {mso-level-number-format:alpha-lower;
1185        mso-level-tab-stop:none;
1186        mso-level-number-position:left;
1187        text-indent:-.25in;}
1188@list l0:level9
1189        {mso-level-number-format:roman-lower;
1190        mso-level-tab-stop:none;
1191        mso-level-number-position:right;
1192        text-indent:-9.0pt;}
1193@list l1
1194        {mso-list-id:479426291;
1195        mso-list-type:hybrid;
1196        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1197@list l1:level1
1198        {mso-level-tab-stop:none;
1199        mso-level-number-position:left;
1200        text-indent:-.25in;}
1201@list l1:level2
1202        {mso-level-number-format:alpha-lower;
1203        mso-level-tab-stop:none;
1204        mso-level-number-position:left;
1205        text-indent:-.25in;}
1206@list l1:level3
1207        {mso-level-number-format:roman-lower;
1208        mso-level-tab-stop:none;
1209        mso-level-number-position:right;
1210        text-indent:-9.0pt;}
1211@list l1:level4
1212        {mso-level-tab-stop:none;
1213        mso-level-number-position:left;
1214        text-indent:-.25in;}
1215@list l1:level5
1216        {mso-level-number-format:alpha-lower;
1217        mso-level-tab-stop:none;
1218        mso-level-number-position:left;
1219        text-indent:-.25in;}
1220@list l1:level6
1221        {mso-level-number-format:roman-lower;
1222        mso-level-tab-stop:none;
1223        mso-level-number-position:right;
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1274</head>
1275
1276<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1277
1278<div class=WordSection1>
1279
1280<h1>Magnetic Structures in GSAS-II - III</h1>
1281
1282<h2>Introduction</h2>
1283
1284<p class=MsoNormal>In this tutorials, we continue showing how GSAS-II makes use
1285of the Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1286<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1287k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1288style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1289class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1290class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1291Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1292while determining a magnetic crystal structure with a non-zero propagation
1293vector. If you have not done so already, you may wish to do the Simple Magnetic
1294Structures tutorial first as it contains some background information that will
1295not be covered here. It is also helpful to do parts I and II of the series of
1296Magnetic Structures tutorials. To make this work, your computer must have an
1297internet connection for GSAS-II to access this site. (We will supply the
1298project file that results after k-SUBGROUPSMAG is called in case you lack
1299internet access).</p>
1300
1301<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1302 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1322 style='width:359.25pt;height:369pt;visibility:visible;mso-wrap-style:square'>
1323 <v:imagedata src="Magnetic-III_files/image001.png" o:title=""/>
1324</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=492
1325src="Magnetic-III_files/image004.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1326
1327<p class=MsoNormal>In this example, we will determine the magnetic structure
1328for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>15.5</sub> from neutron data taken on
1329the D1b diffractometer (ILL, Grenoble, France) at 1.4K and &#955;=2.394 Å and
1330is based on Example 12.2 in the Jana2006 Cookbook (<span class=SpellE>Dušek</span>,
1331et al., 2017).<span style='mso-spacerun:yes'>  </span>Its magnetic structure
1332was originally determined by <span class=SpellE>Mentré</span>, et al. (<span
1333class=SpellE>Mentré</span>, O., Kauffmann, M., <span class=SpellE>Ehora</span>,
1334G., <span class=SpellE>Daviero-Minaud</span>, S., Abraham F. &amp; <span
1335class=SpellE>Roussel</span>, P. (2008). <i>Solid State Sciences </i><b>10</b>,
1336471-475). The chemical structure is P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1337    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1338   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1339   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1340   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
1341style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1342"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1343top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
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1345 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1346 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1347</v:shape><![endif]--><![if !vml]><img width=9 height=19
1348src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1349with a= 5.64870 Å and c= 5.64870 Å. From the structure drawing above, you can
1350see a tetrameric string of face sharing CoO<sub>6</sub> <span class=SpellE>octahedra</span>
1351and a separate CoO<sub>4</sub> tetrahedron with one disordered oxygen position
1352and it appears to order <span class=SpellE>antiferromagnetically</span> at low
1353temperature. Of interest is whether both tetrahedral and octahedral Co atoms
1354carry magnetic moments and how the moments are arranged. As we will see, in
1355this case the magnetic space group is a subgroup of the parent chemical one
1356after a doubling of the c-axis. We will use k-SUBGROUPSMAG to help sort this
1357out.</p>
1358
1359<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1360
1361<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1362about the internet connection!).</p>
1363
1364<h3>Step 1. Read in the data file</h3>
1365
1366<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1367style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1368style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1369the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1370mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1371minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1372Fit2D chi file</span></b> menu item to read the data file into the current
1373GSAS-II project. Because you used <span style='mso-fareast-font-family:Calibri;
1374mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1375normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1376minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1377mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1378style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1379menu entry to open this page and downloaded the exercise files (recommended),
1380then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1381"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1382Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-III/data/...</span></b><span
1383style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1384entry will bring you to the location where the files have been downloaded. (It
1385is also possible to download them manually from <a
1386href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-III/data/</a>.
1387In this case you will need to navigate to the download location manually.)<br>
1388For this tutorial the extension on the data file is the expected one, so it
1389should be immediately visible.</span></p>
1390
1391<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1392style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1393style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1394the <b style='mso-bidi-font-weight:normal'><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'>Ba6Co6.xye</span></b><span style='font-family:"Calibri",sans-serif;
1397mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1398minor-latin'> data</span> file in the first dialog and press <b
1399style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1400mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1401minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1402class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1403"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1404minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1405style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1406mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1407minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1408style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1409mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1410minor-latin'>Yes</span></b></span> button to proceed.</p>
1411
1412<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1413style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1414style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1415this data file does not define an instrument parameter file, a file dialog will
1416appear for you to select the correct instrument parameter file. Select <b
1417style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1418mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1419minor-latin'>D1B.PRM</span></b>; you may have to change the file type in the
1420file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1421style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1422mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1423class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1424style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1425mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1426minor-latin'>GSAS-II data tree</span></b> window will have several entries</p>
1427
1428<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1429 id="Picture_x0020_5" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:324pt;
1430 height:199.5pt;visibility:visible;mso-wrap-style:square'>
1431 <v:imagedata src="Magnetic-III_files/image003.png" o:title=""/>
1432</v:shape><![endif]--><![if !vml]><img border=0 width=432 height=266
1433src="Magnetic-III_files/image021.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1434
1435<p class=MsoNormal style='margin-left:.5in'><span class=GramE>and</span> the
1436plot window will show the powder pattern</p>
1437
1438<p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1439 id="Picture_x0020_6" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:324.75pt;
1440 height:335.25pt;visibility:visible;mso-wrap-style:square'>
1441 <v:imagedata src="Magnetic-III_files/image005.png" o:title=""/>
1442</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=447
1443src="Magnetic-III_files/image025.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1444
1445<p class=MsoNormal style='margin-left:.5in'>We will use the default limits.</p>
1446
1447<h3>Step 2. Read in the chemical structure for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>16</sub></h3>
1448
1449<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1450style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1451style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1452the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1453mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1454minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1455information for Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>15.5</sub> into the current
1456GSAS-II project. The file you want is <b style='mso-bidi-font-weight:normal'><span
1457style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1458mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.cif</span></b>
1459and should be in your current directory. Other submenu items can read phase
1460information in other formats.<span style='mso-spacerun:yes'>  </span></p>
1461
1462<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1463style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1464style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1465the <b style='mso-bidi-font-weight:normal'><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'>Ba6Co6.cif </span></b><span style='font-family:"Calibri",sans-serif;
1468mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1469minor-latin'>data</span> file in the first dialog and press <b
1470style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1471mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1472minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1473class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1474"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1475minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1476style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1477mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1478minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1479style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1480mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1481minor-latin'>Yes</span></b></span> button to proceed. You will get the
1482opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1483normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1484minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>);
1485press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1486mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1487minor-latin'>OK</span></b> to continue.</p>
1488
1489<p class=MsoListParagraphCxSpLast>Next is the histogram selection window; this
1490connects the phase to the data so it can be used in subsequent calculations.<span
1491style='mso-no-proof:yes'> </span>Select the histogram (or press <b
1492style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1493mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1494minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
1495style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1496mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1497The General tab for the phase is shown next<br>
1498<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1499 o:spid="_x0000_i1052" type="#_x0000_t75" style='width:322.5pt;height:176.25pt;
1500 visibility:visible;mso-wrap-style:square'>
1501 <v:imagedata src="Magnetic-III_files/image007.png" o:title=""/>
1502</v:shape><![endif]--><![if !vml]><img border=0 width=430 height=235
1503src="Magnetic-III_files/image057.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1504
1505<h3>Step 3. Check powder pattern indexing</h3>
1506
1507<p class=MsoNormal>Here the objective is to determine how the reflection
1508positions generated from the chemical (“nuclear”) crystal structure lattice
1509match up with the peaks observed for this antiferromagnet. Select <b
1510style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1511mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1512minor-latin'>Unit Cells List</span></b> from the tree entries under the
1513histogram (begins with PWDR); the Indexing controls will be shown<br>
1514<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1515 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:359.25pt;height:121.5pt;
1516 visibility:visible;mso-wrap-style:square'>
1517 <v:imagedata src="Magnetic-III_files/image009.png" o:title=""/>
1518</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=162
1519src="Magnetic-III_files/image058.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1520
1521<p class=MsoNormal>This can use lattice parameters &amp; space groups to
1522generate expected reflection positions to check against the peaks in the powder
1523pattern. One could then enter <span class=SpellE>Bravais</span> lattice, choose
1524space group &amp; enter lattice parameters by hand, but the easy way is to use
1525the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1526style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1527mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1528Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1529appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1530style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1531mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>).
1532This was taken from the Phases present in this project; there could be more
1533than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1534normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1535minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1536menu item allows you to get lattice information from any one of the other phase
1537containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1538style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1539mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1540and the Indexing controls will be change<br>
1541<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
1542 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:357.75pt;height:114pt;
1543 visibility:visible;mso-wrap-style:square'>
1544 <v:imagedata src="Magnetic-III_files/image011.png" o:title=""/>
1545</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=152
1546src="Magnetic-III_files/image059.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1547
1548<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1549Ba<sub>6</sub>Co<sub>6</sub>ClO<sub>15.5</sub> you had obtained from the <span
1550class=SpellE>cif</span> file and the powder pattern will change showing the
1551lines for P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1552   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1553   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1554   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1555   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
1556style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1557"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1558top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1559EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1560 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1561 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1562</v:shape><![endif]--><![if !vml]><img width=9 height=19
1563src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1564and those lattice parameters. </p>
1565
1566<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1567style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1568mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin;mso-no-proof:
1569yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1049"
1570 type="#_x0000_t75" style='width:354.75pt;height:366pt;visibility:visible;
1571 mso-wrap-style:square'>
1572 <v:imagedata src="Magnetic-III_files/image013.png" o:title=""/>
1573</v:shape><![endif]--><![if !vml]><img border=0 width=473 height=488
1574src="Magnetic-III_files/image060.gif" v:shapes="Picture_x0020_10"><![endif]></span></b></p>
1575
1576<p class=MsoNormal>I’ve expanded &amp; shifted the plot slightly to see that a
1577number of peaks are not indexed by this space group (NB: P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr
1578    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1579   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1580   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1581   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
1582style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1583"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1584top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1585EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1586 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1587 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1588</v:shape><![endif]--><![if !vml]><img width=9 height=19
1589src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1590lacks space group extinctions so there is no need to change it as in previous
1591tutorials) and lattice. Antiferromagnetic ordering may force an increase in the
1592unit cell dimensions (usually a doubling or tripling of one or more cell
1593dimensions) or by removing a space group centering. The effect on reciprocal
1594space of this is the appearance of extra reflections at positions that are half
1595(or third) way between those expected from the parent lattice; they are
1596described by a “propagation vector” (<span class=SpellE>kx<span class=GramE>,ky,kz</span></span>)
1597consisting of fractions (1/2, 1/3, etc.). To explore this possibility here, we
1598need to try doubling either a- or c-axis and see the effect on the powder
1599pattern indexing. To try a-axis doubling add “<b style='mso-bidi-font-weight:
1600normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1601minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
1602to the end of the a-axis value; it will quickly change to</p>
1603
1604<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1605 id="Picture_x0020_11" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:357pt;
1606 height:114pt;visibility:visible;mso-wrap-style:square'>
1607 <v:imagedata src="Magnetic-III_files/image015.png" o:title=""/>
1608</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=152
1609src="Magnetic-III_files/image061.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1610
1611<p class=MsoNormal>Notice that the a-axis (11.2974) is now twice the original
1612value (5.6487) and the plot shows the new indexing</p>
1613
1614<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1615 id="Picture_x0020_12" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:356.25pt;
1616 height:366.75pt;visibility:visible;mso-wrap-style:square'>
1617 <v:imagedata src="Magnetic-III_files/image017.png" o:title=""/>
1618</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=489
1619src="Magnetic-III_files/image062.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1620
1621<p class=MsoNormal>Clearly that did not index all the observed peaks, so we
1622want to try doubling the c-axis next. First add “<b style='mso-bidi-font-weight:
1623normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1624minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1625to the end of the a-axis value; it will quickly change back to the old value
1626(and redraw the plot). Then add “<b style='mso-bidi-font-weight:normal'><span
1627style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1628mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
1629to the end of the c-axis value; it will change to 28.9316 and the plot shows</p>
1630
1631<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1632 id="Picture_x0020_13" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:5in;
1633 height:369.75pt;visibility:visible;mso-wrap-style:square'>
1634 <v:imagedata src="Magnetic-III_files/image019.png" o:title=""/>
1635</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=493
1636src="Magnetic-III_files/image063.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
1637
1638<p class=MsoNormal>In this case every powder peak is indexed so a doubling of
1639the c-axis is required and thus the propagation vector is (0<span class=GramE>,0,1</span>/2);
1640just the reciprocal of the required axis operation. Add a<span
1641style='mso-spacerun:yes'>  </span>“<b style='mso-bidi-font-weight:normal'><span
1642style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1643mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
1644to the c-axis entry or else redo the <b style='mso-bidi-font-weight:normal'><span
1645style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1646mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Load cell</span></b>
1647operation, because the next step requires the correct chemical cell and space
1648group to be entered here (<b style='mso-bidi-font-weight:normal'><span
1649style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1650mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>VERY
1651IMPORTANT!</span></b>)</p>
1652
1653<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1654
1655<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1656crystallographic server so you must be connected to the internet. In the Cell
1657Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1658style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1659mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1660k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1661
1662<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1663 id="Picture_x0020_32" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:182.25pt;
1664 height:299.25pt;visibility:visible;mso-wrap-style:square'>
1665 <v:imagedata src="Magnetic-III_files/image028.png" o:title=""/>
1666</v:shape><![endif]--><![if !vml]><img border=0 width=243 height=399
1667src="Magnetic-III_files/image064.gif" v:shapes="Picture_x0020_32"><![endif]></span></p>
1668
1669<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1670space group (P <!--[if gte msEquation 12]><m:oMath><m:acc><m:accPr><m:chr m:val="&#773;"/><span
1671   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
1672   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
1673   normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i style='mso-bidi-font-style:
1674   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
1675style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1676"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1677top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1678EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1679 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1680 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1681</v:shape><![endif]--><![if !vml]><img width=9 height=19
1682src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2)
1683is taken from the Space Group entry on the Unit Cells window. Since we just
1684discovered the propagation vector is (0<span class=GramE>,0,1</span>/2) change <b
1685style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1686mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1687minor-latin'>kz1</span></b> to <b style='mso-bidi-font-weight:normal'><span
1688style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1689mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>œ</span></b>.
1690The available selections were determined by surveying the known magnetic
1691crystal structures given in the Bilbao Magnetic Structures database. Select <b
1692style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1693mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1694minor-latin'>Co</span></b> for the <b style='mso-bidi-font-weight:normal'><span
1695style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1696mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>test for mag
1697atoms</span></b> and then press <b style='mso-bidi-font-weight:normal'><span
1698style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1699mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1700A popup dialog will appear reminding you how to cite the Bilbao routine in any
1701paper you write using this facility.</p>
1702
1703<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1704 id="Picture_x0020_15" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:357.75pt;
1705 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1706 <v:imagedata src="Magnetic-III_files/image023.png" o:title=""/>
1707</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1708src="Magnetic-III_files/image065.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1709
1710<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1711style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1712mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1713the nag note will also appear on the console and after a pause, the console
1714will show “request OK” indicating that the Bilbao site has responded with some
1715results. GSAS-II will next display a File Dialog asking for a project name to
1716save this project; change the directory to a useful place for your work on this
1717tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1718normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1719minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.<o:p></o:p></span></b></p>
1720
1721<p class=MsoNormal>The GSAS-II data window will display the results from
1722k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1723this file is located in the same location as the powder data and <span
1724class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1725normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1726minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1727Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1728normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1729minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>”,
1730then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1731style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1732mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1733style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1734mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1735minor-latin'> as</span></b> to save it immediately in your working directory.).
1736The Unit Cells List window will show the results</p>
1737
1738<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1739 id="Picture_x0020_33" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:360.75pt;
1740 height:293.25pt;visibility:visible;mso-wrap-style:square'>
1741 <v:imagedata src="Magnetic-III_files/image066.png" o:title=""/>
1742</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=391
1743src="Magnetic-III_files/image067.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
1744
1745<p class=MsoNormal>Notice that the number of unique magnetic atoms is either 3
1746or 6; this should be no surprise since the chemical structure has 3 unique Co
1747atoms. Use the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1748"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1749minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b> on the first two
1750entries; they both index every reflection. The two seem identical except for
1751the translation vector. Double click the row number for the 1<sup>st</sup> one;
1752a popup will appear</p>
1753
1754<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1755 id="Picture_x0020_17" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:304.5pt;
1756 height:330pt;visibility:visible;mso-wrap-style:square'>
1757 <v:imagedata src="Magnetic-III_files/image027.png" o:title=""/>
1758</v:shape><![endif]--><![if !vml]><img border=0 width=406 height=440
1759src="Magnetic-III_files/image068.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1760
1761<p class=MsoNormal>These are the magnetic symmetry operations for P<sub>c</sub>
1762-6 c 2. The subscript c on the lattice symbol indicates the c-axis magnetic
1763centering operation; see the entry “<b style='mso-bidi-font-weight:normal'><span
1764style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1765mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>for (0<span
1766class=GramE>,0,1</span>/2)+1’</span></b>”. The list of operators below it are
1767in red to indicate the spin inversion is applied for all of them. The Print Ops
1768button makes a full list on the console; these can be cut &amp; pasted into
1769other programs as needed. Press <b style='mso-bidi-font-weight:normal'><span
1770style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1771mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1772Since the 1<sup>st</sup> two solutions seem reasonable, we’ll try these.</p>
1773
1774<h3>Step 5. Select 1<sup>st</sup> magnetic structure</h3>
1775
1776<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1777style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1778mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6</span></b>
1779phase from the GSAS-II data tree (under Phases). The General tab is shown for
1780this nuclear phase.</p>
1781
1782<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1783 id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:359.25pt;
1784 height:184.5pt;visibility:visible;mso-wrap-style:square'>
1785 <v:imagedata src="Magnetic-III_files/image029.png" o:title=""/>
1786</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=246
1787src="Magnetic-III_files/image069.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1788
1789<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1790style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1791mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1792magnetic phase</span></b>; that will make a small popup dialog</p>
1793
1794<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1795 id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:222.75pt;
1796 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1797 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
1798</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
1799src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1800
1801<p class=MsoNormal>This shows all magnetic phases that were marked Keep in the
1802Unit Cells List; for each you see the transformation and vector (the first two
1803results will have the same space group but different translations). Select the
18041<sup>st</sup> one and press <b style='mso-bidi-font-weight:normal'><span
1805style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1806mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
1807a new popup dialog will appear.</p>
1808
1809<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1810 id="_x0000_i1039" type="#_x0000_t75" style='width:283.5pt;height:123.75pt;
1811 visibility:visible;mso-wrap-style:square'>
1812 <v:imagedata src="Magnetic-III_files/image033.png" o:title=""/>
1813</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
1814src="Magnetic-III_files/image071.gif" v:shapes="_x0000_i1039"><![endif]></span></p>
1815
1816<p class=MsoNormal>Since the chemical phase had three Co atoms, having three
1817magnetic ones is no surprise. All have a possible magnetic moment; all <span
1818class=SpellE>Mz</span> only. Press <span class=GramE><b style='mso-bidi-font-weight:
1819normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1820minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
1821to use it. The project will be saved first, then a file dialog box will appear
1822offering a project name for this magnetic structure. It is named with the
1823number from the space group list (<b style='mso-bidi-font-weight:normal'><span
1824style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1825mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6
1826mag_1.gpx</span></b>); press <b style='mso-bidi-font-weight:normal'><span
1827style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1828mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save.</span></b>
1829The 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
1830    m:val="&#773;"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family:
1831   "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic;
1832   mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i
1833   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>6</m:r></span></i></m:e></m:acc></m:oMath><![endif]--><![if !msEquation]><span
1834style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1835"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1836top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1837EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1838 type="#_x0000_t75" style='width:6.75pt;height:14.25pt'>
1839 <v:imagedata src="Magnetic-III_files/image006.png" o:title="" chromakey="white"/>
1840</v:shape><![endif]--><![if !vml]><img width=9 height=19
1841src="Magnetic-III_files/image008.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]>m2
1842magnetic phase just created.</p>
1843
1844<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1845 id="_x0000_i1038" type="#_x0000_t75" style='width:468.75pt;height:247.5pt;
1846 visibility:visible;mso-wrap-style:square'>
1847 <v:imagedata src="Magnetic-III_files/image037.png" o:title=""/>
1848</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=330
1849src="Magnetic-III_files/image072.gif" v:shapes="_x0000_i1038"><![endif]></span></p>
1850
1851<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1852style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1853mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1854for all three Co atoms <span class=SpellE>Mz</span> values. Then go to Draw
1855Atoms, select them all and do <span class=GramE><b style='mso-bidi-font-weight:
1856normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1857minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
1858style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1859mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1860minor-latin'> Figure/Fill unit cell</span></b>; you’ll see this
1861antiferromagnetic structure</p>
1862
1863<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1864 id="_x0000_i1037" type="#_x0000_t75" style='width:340.5pt;height:9in;
1865 visibility:visible;mso-wrap-style:square'>
1866 <v:imagedata src="Magnetic-III_files/image039.png" o:title=""/>
1867</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=864
1868src="Magnetic-III_files/image073.gif" v:shapes="_x0000_i1037"><![endif]></span></p>
1869
1870<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1871style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1872mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1873</span></b>for the initial refinement. An error popup will show</p>
1874
1875<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1876 id="Picture_x0020_20" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363.75pt;
1877 height:123pt;visibility:visible;mso-wrap-style:square'>
1878 <v:imagedata src="Magnetic-III_files/image041.png" o:title=""/>
1879</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=164
1880src="Magnetic-III_files/image074.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1881
1882<p class=MsoNormal>This is similar to what happened in the previous tutorial
1883(and is a bug). Press <b style='mso-bidi-font-weight:normal'><span
1884style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1885mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1886&amp; go to the Constraints entry; we’ll see this same message again. Press <b
1887style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1888mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1889minor-latin'>OK</span></b> and the constraints will show</p>
1890
1891<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1892 id="Picture_x0020_21" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:361.5pt;
1893 height:269.25pt;visibility:visible;mso-wrap-style:square'>
1894 <v:imagedata src="Magnetic-III_files/image043.png" o:title=""/>
1895</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=359
1896src="Magnetic-III_files/image075.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1897
1898<p class=MsoNormal>The actual conflict is the 2<sup>nd</sup> from last one “<b
1899style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1900mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1901minor-latin'>EQUIV 1::A0 = 1.000*0::A0</span></b>” which is a duplicate of the
1902one above it. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1903"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1904minor-latin;mso-bidi-theme-font:minor-latin'>Delete</span></b> it; the error is
1905cleared</p>
1906
1907<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1908 id="Picture_x0020_22" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:359.25pt;
1909 height:267pt;visibility:visible;mso-wrap-style:square'>
1910 <v:imagedata src="Magnetic-III_files/image045.png" o:title=""/>
1911</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=356
1912src="Magnetic-III_files/image076.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1913
1914<p class=MsoNormal>Now try <b style='mso-bidi-font-weight:normal'><span
1915style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1916mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1917again. The <span class=SpellE>wR</span> ~18% with some intensity for all the
1918peaks in the pattern, but the magnetic moments are probably wrong. Go to the
1919magnetic phase Atoms tab and select refine <b style='mso-bidi-font-weight:normal'><span
1920style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1921mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
1922for all three Co atoms. Do <b style='mso-bidi-font-weight:normal'><span
1923style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1924mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1925again; the residual drops a bit but now the errors seem to be mostly peak
1926position. Go to the General tab for both phases and check the <b
1927style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1928mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1929minor-latin'>Refine unit cell</span></b> box for each. Then go to Sample
1930parameters for the PWDR data set, set goniometer radius to <b style='mso-bidi-font-weight:
1931normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1932minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>650</span></b>
1933and check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
1934"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1935minor-latin;mso-bidi-theme-font:minor-latin'>Sample X &amp; Y <span
1936class=SpellE>displ</span></span></b> parameters. Do <b style='mso-bidi-font-weight:
1937normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1938minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1939again; <span class=SpellE>wR</span> ~ 15% now. To finish the refinement,
1940include Instrument parameters <b style='mso-bidi-font-weight:normal'><span
1941style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1942mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U, V, W, X, Y
1943and SH/L</span></b>; use <b style='mso-bidi-font-weight:normal'><span
1944style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1945mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1946Background term and refine <b style='mso-bidi-font-weight:normal'><span
1947style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1948mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1949for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1950style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1951mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
1952in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1953style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1954mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1955my residual was <span class=SpellE>wR</span>=7.49% and the magnetic atoms
1956showed most of the moment on Co2_1 (<span class=SpellE>Mz</span> = 3.2) with
1957the other two much smaller. </p>
1958
1959<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1960 id="Picture_x0020_23" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:356.25pt;
1961 height:599.25pt;visibility:visible;mso-wrap-style:square'>
1962 <v:imagedata src="Magnetic-III_files/image047.png" o:title=""/>
1963</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=799
1964src="Magnetic-III_files/image077.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1965
1966<p class=MsoNormal>The fit to the powder pattern looks quite good</p>
1967
1968<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1969 id="Picture_x0020_24" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:5in;
1970 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1971 <v:imagedata src="Magnetic-III_files/image049.png" o:title=""/>
1972</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=377
1973src="Magnetic-III_files/image078.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1974
1975<p class=MsoNormal>But we should try the other solution to see if it is better.
1976<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1977mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1978minor-latin'>Save</span></b> the project first.</p>
1979
1980<h3>Step 7. Select 2nd magnetic structure</h3>
1981
1982<p class=MsoNormal>To continue the selection process, we need to use the saved
1983project used for the first selection because it contains the table of possible
1984magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1985normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1986minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1987project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1988normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1989minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6.gpx</span></b>;
1990you’ll see a reminder to save the old project (we just did this) and select the
1991<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1992mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1993minor-latin'>Ba6Co6</span></b> phase (should be the only one); the General tab
1994will be shown</p>
1995
1996<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1997 id="Picture_x0020_25" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;
1998 height:185.25pt;visibility:visible;mso-wrap-style:square'>
1999 <v:imagedata src="Magnetic-III_files/image051.png" o:title=""/>
2000</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=247
2001src="Magnetic-III_files/image079.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
2002
2003<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2004style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2005mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2006magnetic phase</span></b> from the menu; the popup should look like</p>
2007
2008<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2009 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:222.75pt;
2010 height:222.75pt;visibility:visible;mso-wrap-style:square'>
2011 <v:imagedata src="Magnetic-III_files/image031.png" o:title=""/>
2012</v:shape><![endif]--><![if !vml]><img border=0 width=297 height=297
2013src="Magnetic-III_files/image070.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
2014
2015<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
2016and press OK; a popup will appear</p>
2017
2018<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2019 id="Picture_x0020_27" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:283.5pt;
2020 height:123.75pt;visibility:visible;mso-wrap-style:square'>
2021 <v:imagedata src="Magnetic-III_files/image053.png" o:title=""/>
2022</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=165
2023src="Magnetic-III_files/image080.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
2024
2025<p class=MsoNormal>It looks very similar to what we had before; close
2026comparison will show these to be shifted on z by Œ. Press <span class=GramE><b
2027style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2028mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2029minor-latin'>Yes</span></b></span> to use them. The project will be saved and a
2030new project <b style='mso-bidi-font-weight:normal'><span style='font-family:
2031"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2032minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6 mag_2.gpx</span></b> will be
2033created. The General tab for this new phase will be shown</p>
2034
2035<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2036 id="Picture_x0020_28" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:363pt;
2037 height:186.75pt;visibility:visible;mso-wrap-style:square'>
2038 <v:imagedata src="Magnetic-III_files/image055.png" o:title=""/>
2039</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=249
2040src="Magnetic-III_files/image081.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
2041
2042<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mz</span>
2043for each Co atom to <b style='mso-bidi-font-weight:normal'><span
2044style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2045mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
2046Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic structure.
2047Do <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'>Calculate/Refine</span></b> first – you’ll again have to correct
2050he constraints by deleting the duplicate one. Then set the <b style='mso-bidi-font-weight:
2051normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2052minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
2053refine flags for the magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
2054style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2055mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2056Add <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2057mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2058minor-latin'>sample X &amp; Y displacements</span></b> (radius = <b
2059style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2060mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2061minor-latin'>650</span></b>) and both lattice parameters; do <b
2062style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2063mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2064minor-latin'>Calculate/Refine</span></b>. Then add Instrument parameters <b
2065style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2066mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2067minor-latin'>U, V, W, X, Y &amp; SH/L</span></b>; do <b style='mso-bidi-font-weight:
2068normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2069minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2070Finally use <b style='mso-bidi-font-weight:normal'><span style='font-family:
2071"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2072minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> background
2073coefficients and refine <b style='mso-bidi-font-weight:normal'><span
2074style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2075mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
2076for the chemical phase atoms and <b style='mso-bidi-font-weight:normal'><span
2077style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2078mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b>
2079for the magnetic atoms. Do <b style='mso-bidi-font-weight:normal'><span
2080style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2081mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2082a few times until it converges. I got <span class=SpellE>wR</span> = 7.46%
2083which is only slightly better than the result for the first model. In this case
2084the tetrahedral Co atom carries the large magnetic moment while the octahedral
2085ones have nearly zero moment. This is probably the better model because it is
2086similar to the magnetic structures found for related materials. We can see if
2087the moment is fully on the tetrahedral Co; set <span class=SpellE><b
2088style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2089mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2090minor-latin'>Mz</span></b></span><b style='mso-bidi-font-weight:normal'><span
2091style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2092mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>=0</span></b>
2093for the other two and set their refinement flags to just <b style='mso-bidi-font-weight:
2094normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2095minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>.
2096Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2097mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2098minor-latin'>Calculate/Refine</span></b>. My final <span class=SpellE>wR</span>=7.462%
2099shows that probably all the magnetic moment is on the tetrahedral Co atoms. The
2100Atoms list </p>
2101
2102<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2103 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:361.5pt;
2104 height:82.5pt;visibility:visible;mso-wrap-style:square'>
2105 <v:imagedata src="Magnetic-III_files/image084.png" o:title=""/>
2106</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=110
2107src="Magnetic-III_files/image082.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
2108
2109<p class=MsoNormal><span class=GramE>gives</span> <span class=SpellE>Mz</span>=3.296(35);
2110the <span class=SpellE>esd</span> is from <b style='mso-bidi-font-weight:normal'><span
2111style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2112mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ba6Co6
2113mag_2.lst</span></b>. The structure is then</p>
2114
2115<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2116 id="Picture_x0020_30" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:177.75pt;
2117 height:5in;visibility:visible;mso-wrap-style:square'>
2118 <v:imagedata src="Magnetic-III_files/image086.png" o:title=""/>
2119</v:shape><![endif]--><![if !vml]><img border=0 width=237 height=480
2120src="Magnetic-III_files/image083.gif" v:shapes="Picture_x0020_30"><![endif]><!--[if gte vml 1]><v:shape
2121 id="Picture_x0020_31" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:187.5pt;
2122 height:358.5pt;visibility:visible;mso-wrap-style:square'>
2123 <v:imagedata src="Magnetic-III_files/image088.png" o:title=""/>
2124</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=478
2125src="Magnetic-III_files/image085.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
2126
2127<p class=MsoNormal>I’ve placed the doubled c-axis chemical structure so you can
2128see the relationship between them.</p>
2129
2130<p class=MsoNormal>If I impose a similar constraint for the 1<sup>st</sup> model,
2131the final <span class=SpellE>wR</span>=7.524% is slightly higher than for the 2<sup>nd</sup>
2132model. This concludes this tutorial; you probably want to <span class=GramE><b
2133style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2134mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2135minor-latin'>Save</span></b></span> both projects before closing GSAS-II.</p>
2136
2137</div>
2138
2139</body>
2140
2141</html>
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