source: Tutorials/Magnetic-IV/Magnetic-IV.htm @ 3644

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412  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
413  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
414  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
415  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
416  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
417  <w:LsdException Locked="false" Priority="34" QFormat="true"
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419  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
420  <w:LsdException Locked="false" Priority="30" QFormat="true"
421   Name="Intense Quote"/>
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423  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
424  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
425  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
426  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
427  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
428  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
429  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
430  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
431  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
432  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
433  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
434  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
435  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
436  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
437  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
438  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
439  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
440  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
441  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
442  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
443  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
444  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
445  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
446  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
447  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
448  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
449  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
450  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
451  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
452  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
453  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
454  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
455  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
456  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
457  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
458  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
459  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
460  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
461  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
462  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
463  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
464  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
465  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
466  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
467  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
468  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
469  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
470  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
471  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
472  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
473  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
474  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
475  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
476  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
477  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
478  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
479  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
480  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
481  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
482  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
483  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
484  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
485  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
486  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
487  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
488  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
489  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
490  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
491  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
492  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
493  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
494  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
495  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
496  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
497  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
498  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
499  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
500  <w:LsdException Locked="false" Priority="19" QFormat="true"
501   Name="Subtle Emphasis"/>
502  <w:LsdException Locked="false" Priority="21" QFormat="true"
503   Name="Intense Emphasis"/>
504  <w:LsdException Locked="false" Priority="31" QFormat="true"
505   Name="Subtle Reference"/>
506  <w:LsdException Locked="false" Priority="32" QFormat="true"
507   Name="Intense Reference"/>
508  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
509  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
510   UnhideWhenUsed="true" Name="Bibliography"/>
511  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
512   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
513  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
514  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
515  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
516  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
517  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
518  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
519  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
520  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
521  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
522  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
523  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
524  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
525  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
526  <w:LsdException Locked="false" Priority="46"
527   Name="Grid Table 1 Light Accent 1"/>
528  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
529  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
530  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
531  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
532  <w:LsdException Locked="false" Priority="51"
533   Name="Grid Table 6 Colorful Accent 1"/>
534  <w:LsdException Locked="false" Priority="52"
535   Name="Grid Table 7 Colorful Accent 1"/>
536  <w:LsdException Locked="false" Priority="46"
537   Name="Grid Table 1 Light Accent 2"/>
538  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
539  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
540  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
541  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
542  <w:LsdException Locked="false" Priority="51"
543   Name="Grid Table 6 Colorful Accent 2"/>
544  <w:LsdException Locked="false" Priority="52"
545   Name="Grid Table 7 Colorful Accent 2"/>
546  <w:LsdException Locked="false" Priority="46"
547   Name="Grid Table 1 Light Accent 3"/>
548  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
549  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
550  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
551  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
552  <w:LsdException Locked="false" Priority="51"
553   Name="Grid Table 6 Colorful Accent 3"/>
554  <w:LsdException Locked="false" Priority="52"
555   Name="Grid Table 7 Colorful Accent 3"/>
556  <w:LsdException Locked="false" Priority="46"
557   Name="Grid Table 1 Light Accent 4"/>
558  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
559  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
560  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
561  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
562  <w:LsdException Locked="false" Priority="51"
563   Name="Grid Table 6 Colorful Accent 4"/>
564  <w:LsdException Locked="false" Priority="52"
565   Name="Grid Table 7 Colorful Accent 4"/>
566  <w:LsdException Locked="false" Priority="46"
567   Name="Grid Table 1 Light Accent 5"/>
568  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
569  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
570  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
571  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
572  <w:LsdException Locked="false" Priority="51"
573   Name="Grid Table 6 Colorful Accent 5"/>
574  <w:LsdException Locked="false" Priority="52"
575   Name="Grid Table 7 Colorful Accent 5"/>
576  <w:LsdException Locked="false" Priority="46"
577   Name="Grid Table 1 Light Accent 6"/>
578  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
579  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
580  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
581  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
582  <w:LsdException Locked="false" Priority="51"
583   Name="Grid Table 6 Colorful Accent 6"/>
584  <w:LsdException Locked="false" Priority="52"
585   Name="Grid Table 7 Colorful Accent 6"/>
586  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
587  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
588  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
589  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
590  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
591  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
592  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
593  <w:LsdException Locked="false" Priority="46"
594   Name="List Table 1 Light Accent 1"/>
595  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
596  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
597  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
598  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
599  <w:LsdException Locked="false" Priority="51"
600   Name="List Table 6 Colorful Accent 1"/>
601  <w:LsdException Locked="false" Priority="52"
602   Name="List Table 7 Colorful Accent 1"/>
603  <w:LsdException Locked="false" Priority="46"
604   Name="List Table 1 Light Accent 2"/>
605  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
606  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
607  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
608  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
609  <w:LsdException Locked="false" Priority="51"
610   Name="List Table 6 Colorful Accent 2"/>
611  <w:LsdException Locked="false" Priority="52"
612   Name="List Table 7 Colorful Accent 2"/>
613  <w:LsdException Locked="false" Priority="46"
614   Name="List Table 1 Light Accent 3"/>
615  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
616  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
617  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
618  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
619  <w:LsdException Locked="false" Priority="51"
620   Name="List Table 6 Colorful Accent 3"/>
621  <w:LsdException Locked="false" Priority="52"
622   Name="List Table 7 Colorful Accent 3"/>
623  <w:LsdException Locked="false" Priority="46"
624   Name="List Table 1 Light Accent 4"/>
625  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
626  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
627  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
628  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
629  <w:LsdException Locked="false" Priority="51"
630   Name="List Table 6 Colorful Accent 4"/>
631  <w:LsdException Locked="false" Priority="52"
632   Name="List Table 7 Colorful Accent 4"/>
633  <w:LsdException Locked="false" Priority="46"
634   Name="List Table 1 Light Accent 5"/>
635  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
636  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
637  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
638  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
639  <w:LsdException Locked="false" Priority="51"
640   Name="List Table 6 Colorful Accent 5"/>
641  <w:LsdException Locked="false" Priority="52"
642   Name="List Table 7 Colorful Accent 5"/>
643  <w:LsdException Locked="false" Priority="46"
644   Name="List Table 1 Light Accent 6"/>
645  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
646  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
647  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
648  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
649  <w:LsdException Locked="false" Priority="51"
650   Name="List Table 6 Colorful Accent 6"/>
651  <w:LsdException Locked="false" Priority="52"
652   Name="List Table 7 Colorful Accent 6"/>
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784a:link, span.MsoHyperlink
785        {mso-style-noshow:yes;
786        mso-style-priority:99;
787        color:blue;
788        text-decoration:underline;
789        text-underline:single;}
790a:visited, span.MsoHyperlinkFollowed
791        {mso-style-noshow:yes;
792        mso-style-priority:99;
793        color:purple;
794        text-decoration:underline;
795        text-underline:single;}
796p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
797        {mso-style-noshow:yes;
798        mso-style-priority:99;
799        mso-style-link:"Document Map Char";
800        margin:0in;
801        margin-bottom:.0001pt;
802        mso-pagination:widow-orphan;
803        font-size:8.0pt;
804        font-family:"Tahoma",sans-serif;
805        mso-fareast-font-family:"Times New Roman";
806        mso-fareast-theme-font:minor-fareast;}
807p
808        {mso-style-noshow:yes;
809        mso-style-priority:99;
810        mso-margin-top-alt:auto;
811        margin-right:0in;
812        mso-margin-bottom-alt:auto;
813        margin-left:0in;
814        mso-pagination:widow-orphan;
815        font-size:12.0pt;
816        font-family:"Times New Roman",serif;
817        mso-fareast-font-family:"Times New Roman";
818        mso-fareast-theme-font:minor-fareast;}
819pre
820        {mso-style-noshow:yes;
821        mso-style-priority:99;
822        mso-style-link:"HTML Preformatted Char";
823        margin:0in;
824        margin-bottom:.0001pt;
825        mso-pagination:widow-orphan;
826        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;
827        font-size:10.0pt;
828        font-family:"Courier New";
829        mso-fareast-font-family:"Times New Roman";}
830p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
831        {mso-style-noshow:yes;
832        mso-style-priority:99;
833        mso-style-link:"Balloon Text Char";
834        margin:0in;
835        margin-bottom:.0001pt;
836        mso-pagination:widow-orphan;
837        font-size:8.0pt;
838        font-family:"Tahoma",sans-serif;
839        mso-fareast-font-family:"Times New Roman";
840        mso-fareast-theme-font:minor-fareast;}
841span.MsoPlaceholderText
842        {mso-style-noshow:yes;
843        mso-style-priority:99;
844        mso-style-unhide:no;
845        color:gray;}
846p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
847        {mso-style-noshow:yes;
848        mso-style-priority:1;
849        mso-style-unhide:no;
850        mso-style-qformat:yes;
851        mso-style-parent:"";
852        margin:0in;
853        margin-bottom:.0001pt;
854        mso-pagination:widow-orphan;
855        font-size:12.0pt;
856        font-family:"Times New Roman",serif;
857        mso-fareast-font-family:"Times New Roman";
858        mso-fareast-theme-font:minor-fareast;}
859p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
860        {mso-style-noshow:yes;
861        mso-style-priority:34;
862        mso-style-unhide:no;
863        mso-style-qformat:yes;
864        margin-top:0in;
865        margin-right:0in;
866        margin-bottom:0in;
867        margin-left:.5in;
868        margin-bottom:.0001pt;
869        mso-add-space:auto;
870        mso-pagination:widow-orphan;
871        font-size:12.0pt;
872        font-family:"Times New Roman",serif;
873        mso-fareast-font-family:"Times New Roman";
874        mso-fareast-theme-font:minor-fareast;}
875p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
876        {mso-style-noshow:yes;
877        mso-style-priority:34;
878        mso-style-unhide:no;
879        mso-style-qformat:yes;
880        mso-style-type:export-only;
881        margin-top:0in;
882        margin-right:0in;
883        margin-bottom:0in;
884        margin-left:.5in;
885        margin-bottom:.0001pt;
886        mso-add-space:auto;
887        mso-pagination:widow-orphan;
888        font-size:12.0pt;
889        font-family:"Times New Roman",serif;
890        mso-fareast-font-family:"Times New Roman";
891        mso-fareast-theme-font:minor-fareast;}
892p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
893        {mso-style-noshow:yes;
894        mso-style-priority:34;
895        mso-style-unhide:no;
896        mso-style-qformat:yes;
897        mso-style-type:export-only;
898        margin-top:0in;
899        margin-right:0in;
900        margin-bottom:0in;
901        margin-left:.5in;
902        margin-bottom:.0001pt;
903        mso-add-space:auto;
904        mso-pagination:widow-orphan;
905        font-size:12.0pt;
906        font-family:"Times New Roman",serif;
907        mso-fareast-font-family:"Times New Roman";
908        mso-fareast-theme-font:minor-fareast;}
909p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
910        {mso-style-noshow:yes;
911        mso-style-priority:34;
912        mso-style-unhide:no;
913        mso-style-qformat:yes;
914        mso-style-type:export-only;
915        margin-top:0in;
916        margin-right:0in;
917        margin-bottom:0in;
918        margin-left:.5in;
919        margin-bottom:.0001pt;
920        mso-add-space:auto;
921        mso-pagination:widow-orphan;
922        font-size:12.0pt;
923        font-family:"Times New Roman",serif;
924        mso-fareast-font-family:"Times New Roman";
925        mso-fareast-theme-font:minor-fareast;}
926span.MsoIntenseReference
927        {mso-style-priority:32;
928        mso-style-unhide:no;
929        mso-style-qformat:yes;
930        font-variant:small-caps;
931        color:#C0504D;
932        mso-themecolor:accent2;
933        letter-spacing:.25pt;
934        font-weight:bold;
935        text-decoration:underline;
936        text-underline:single;}
937span.Heading1Char
938        {mso-style-name:"Heading 1 Char";
939        mso-style-priority:9;
940        mso-style-unhide:no;
941        mso-style-locked:yes;
942        mso-style-link:"Heading 1";
943        mso-ansi-font-size:24.0pt;
944        mso-bidi-font-size:24.0pt;
945        font-family:"Times New Roman",serif;
946        mso-ascii-font-family:"Times New Roman";
947        mso-fareast-font-family:"Times New Roman";
948        mso-fareast-theme-font:minor-fareast;
949        mso-hansi-font-family:"Times New Roman";
950        mso-bidi-font-family:"Times New Roman";
951        mso-font-kerning:18.0pt;
952        font-weight:bold;}
953span.Heading2Char
954        {mso-style-name:"Heading 2 Char";
955        mso-style-noshow:yes;
956        mso-style-priority:9;
957        mso-style-unhide:no;
958        mso-style-locked:yes;
959        mso-style-link:"Heading 2";
960        mso-ansi-font-size:18.0pt;
961        mso-bidi-font-size:18.0pt;
962        font-family:"Times New Roman",serif;
963        mso-ascii-font-family:"Times New Roman";
964        mso-fareast-font-family:"Times New Roman";
965        mso-fareast-theme-font:minor-fareast;
966        mso-hansi-font-family:"Times New Roman";
967        mso-bidi-font-family:"Times New Roman";
968        font-weight:bold;}
969span.Heading3Char
970        {mso-style-name:"Heading 3 Char";
971        mso-style-noshow:yes;
972        mso-style-priority:9;
973        mso-style-unhide:no;
974        mso-style-locked:yes;
975        mso-style-link:"Heading 3";
976        mso-ansi-font-size:13.5pt;
977        mso-bidi-font-size:13.5pt;
978        font-family:"Times New Roman",serif;
979        mso-ascii-font-family:"Times New Roman";
980        mso-fareast-font-family:"Times New Roman";
981        mso-fareast-theme-font:minor-fareast;
982        mso-hansi-font-family:"Times New Roman";
983        mso-bidi-font-family:"Times New Roman";
984        font-weight:bold;}
985span.Heading4Char
986        {mso-style-name:"Heading 4 Char";
987        mso-style-noshow:yes;
988        mso-style-priority:9;
989        mso-style-unhide:no;
990        mso-style-locked:yes;
991        mso-style-link:"Heading 4";
992        mso-ansi-font-size:13.0pt;
993        mso-bidi-font-size:13.0pt;
994        font-family:"Cambria",serif;
995        mso-ascii-font-family:Cambria;
996        mso-ascii-theme-font:major-latin;
997        mso-fareast-font-family:"Times New Roman";
998        mso-fareast-theme-font:major-fareast;
999        mso-hansi-font-family:Cambria;
1000        mso-hansi-theme-font:major-latin;
1001        mso-bidi-font-family:"Times New Roman";
1002        mso-bidi-theme-font:major-bidi;
1003        color:#4F81BD;
1004        mso-themecolor:accent1;
1005        font-weight:bold;
1006        font-style:italic;}
1007span.Heading5Char
1008        {mso-style-name:"Heading 5 Char";
1009        mso-style-noshow:yes;
1010        mso-style-priority:9;
1011        mso-style-unhide:no;
1012        mso-style-locked:yes;
1013        mso-style-link:"Heading 5";
1014        mso-ansi-font-size:12.0pt;
1015        mso-bidi-font-size:12.0pt;
1016        font-family:"Times New Roman",serif;
1017        mso-ascii-font-family:"Times New Roman";
1018        mso-fareast-font-family:"Times New Roman";
1019        mso-fareast-theme-font:minor-fareast;
1020        mso-hansi-font-family:"Times New Roman";
1021        mso-bidi-font-family:"Times New Roman";
1022        color:#4F4FFF;
1023        font-weight:bold;}
1024span.HTMLPreformattedChar
1025        {mso-style-name:"HTML Preformatted Char";
1026        mso-style-noshow:yes;
1027        mso-style-priority:99;
1028        mso-style-unhide:no;
1029        mso-style-locked:yes;
1030        mso-style-link:"HTML Preformatted";
1031        mso-ansi-font-size:10.0pt;
1032        mso-bidi-font-size:10.0pt;
1033        font-family:"Courier New";
1034        mso-ascii-font-family:"Courier New";
1035        mso-fareast-font-family:"Times New Roman";
1036        mso-hansi-font-family:"Courier New";
1037        mso-bidi-font-family:"Courier New";}
1038p.msonormal0, li.msonormal0, div.msonormal0
1039        {mso-style-name:msonormal;
1040        mso-style-noshow:yes;
1041        mso-style-priority:99;
1042        mso-style-unhide:no;
1043        mso-margin-top-alt:auto;
1044        margin-right:0in;
1045        mso-margin-bottom-alt:auto;
1046        margin-left:0in;
1047        mso-pagination:widow-orphan;
1048        font-size:12.0pt;
1049        font-family:"Times New Roman",serif;
1050        mso-fareast-font-family:"Times New Roman";
1051        mso-fareast-theme-font:minor-fareast;}
1052span.DocumentMapChar
1053        {mso-style-name:"Document Map Char";
1054        mso-style-noshow:yes;
1055        mso-style-priority:99;
1056        mso-style-unhide:no;
1057        mso-style-locked:yes;
1058        mso-style-link:"Document Map";
1059        mso-ansi-font-size:8.0pt;
1060        mso-bidi-font-size:8.0pt;
1061        font-family:"Tahoma",sans-serif;
1062        mso-ascii-font-family:Tahoma;
1063        mso-fareast-font-family:"Times New Roman";
1064        mso-fareast-theme-font:minor-fareast;
1065        mso-hansi-font-family:Tahoma;
1066        mso-bidi-font-family:Tahoma;}
1067span.BalloonTextChar
1068        {mso-style-name:"Balloon Text Char";
1069        mso-style-noshow:yes;
1070        mso-style-priority:99;
1071        mso-style-unhide:no;
1072        mso-style-locked:yes;
1073        mso-style-link:"Balloon Text";
1074        mso-ansi-font-size:8.0pt;
1075        mso-bidi-font-size:8.0pt;
1076        font-family:"Tahoma",sans-serif;
1077        mso-ascii-font-family:Tahoma;
1078        mso-fareast-font-family:"Times New Roman";
1079        mso-fareast-theme-font:minor-fareast;
1080        mso-hansi-font-family:Tahoma;
1081        mso-bidi-font-family:Tahoma;}
1082span.GSAS-IItextChar
1083        {mso-style-name:"GSAS-II text Char";
1084        mso-style-unhide:no;
1085        mso-style-locked:yes;
1086        mso-style-link:"GSAS-II text";
1087        mso-ansi-font-size:12.0pt;
1088        mso-bidi-font-size:12.0pt;
1089        font-family:"Times New Roman",serif;
1090        mso-ascii-font-family:"Times New Roman";
1091        mso-fareast-font-family:"Times New Roman";
1092        mso-fareast-theme-font:minor-fareast;
1093        mso-hansi-font-family:"Times New Roman";
1094        mso-bidi-font-family:Calibri;
1095        mso-bidi-theme-font:minor-latin;
1096        font-weight:bold;
1097        mso-bidi-font-weight:normal;}
1098p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1099        {mso-style-name:"GSAS-II text";
1100        mso-style-noshow:yes;
1101        mso-style-priority:99;
1102        mso-style-unhide:no;
1103        mso-style-link:"GSAS-II text Char";
1104        margin:0in;
1105        margin-bottom:.0001pt;
1106        mso-pagination:widow-orphan;
1107        font-size:12.0pt;
1108        font-family:"Calibri",sans-serif;
1109        mso-ascii-font-family:Calibri;
1110        mso-ascii-theme-font:minor-latin;
1111        mso-fareast-font-family:"Times New Roman";
1112        mso-fareast-theme-font:minor-fareast;
1113        mso-hansi-font-family:Calibri;
1114        mso-hansi-theme-font:minor-latin;
1115        mso-bidi-font-family:Calibri;
1116        mso-bidi-theme-font:minor-latin;
1117        font-weight:bold;
1118        mso-bidi-font-weight:normal;}
1119span.SpellE
1120        {mso-style-name:"";
1121        mso-spl-e:yes;}
1122span.GramE
1123        {mso-style-name:"";
1124        mso-gram-e:yes;}
1125.MsoChpDefault
1126        {mso-style-type:export-only;
1127        mso-default-props:yes;
1128        font-size:10.0pt;
1129        mso-ansi-font-size:10.0pt;
1130        mso-bidi-font-size:10.0pt;
1131        font-family:"Calibri",sans-serif;
1132        mso-ascii-font-family:Calibri;
1133        mso-ascii-theme-font:minor-latin;
1134        mso-fareast-font-family:Calibri;
1135        mso-fareast-theme-font:minor-latin;
1136        mso-hansi-font-family:Calibri;
1137        mso-hansi-theme-font:minor-latin;
1138        mso-bidi-font-family:"Times New Roman";
1139        mso-bidi-theme-font:minor-bidi;}
1140@page WordSection1
1141        {size:8.5in 11.0in;
1142        margin:1.0in 1.0in 1.0in 1.0in;
1143        mso-header-margin:.5in;
1144        mso-footer-margin:.5in;
1145        mso-paper-source:0;}
1146div.WordSection1
1147        {page:WordSection1;}
1148 /* List Definitions */
1149 @list l0
1150        {mso-list-id:202911215;
1151        mso-list-type:hybrid;
1152        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1153@list l0:level1
1154        {mso-level-tab-stop:none;
1155        mso-level-number-position:left;
1156        text-indent:-.25in;}
1157@list l0:level2
1158        {mso-level-number-format:alpha-lower;
1159        mso-level-tab-stop:none;
1160        mso-level-number-position:left;
1161        text-indent:-.25in;}
1162@list l0:level3
1163        {mso-level-number-format:roman-lower;
1164        mso-level-tab-stop:none;
1165        mso-level-number-position:right;
1166        text-indent:-9.0pt;}
1167@list l0:level4
1168        {mso-level-tab-stop:none;
1169        mso-level-number-position:left;
1170        text-indent:-.25in;}
1171@list l0:level5
1172        {mso-level-number-format:alpha-lower;
1173        mso-level-tab-stop:none;
1174        mso-level-number-position:left;
1175        text-indent:-.25in;}
1176@list l0:level6
1177        {mso-level-number-format:roman-lower;
1178        mso-level-tab-stop:none;
1179        mso-level-number-position:right;
1180        text-indent:-9.0pt;}
1181@list l0:level7
1182        {mso-level-tab-stop:none;
1183        mso-level-number-position:left;
1184        text-indent:-.25in;}
1185@list l0:level8
1186        {mso-level-number-format:alpha-lower;
1187        mso-level-tab-stop:none;
1188        mso-level-number-position:left;
1189        text-indent:-.25in;}
1190@list l0:level9
1191        {mso-level-number-format:roman-lower;
1192        mso-level-tab-stop:none;
1193        mso-level-number-position:right;
1194        text-indent:-9.0pt;}
1195@list l1
1196        {mso-list-id:479426291;
1197        mso-list-type:hybrid;
1198        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1199@list l1:level1
1200        {mso-level-tab-stop:none;
1201        mso-level-number-position:left;
1202        text-indent:-.25in;}
1203@list l1:level2
1204        {mso-level-number-format:alpha-lower;
1205        mso-level-tab-stop:none;
1206        mso-level-number-position:left;
1207        text-indent:-.25in;}
1208@list l1:level3
1209        {mso-level-number-format:roman-lower;
1210        mso-level-tab-stop:none;
1211        mso-level-number-position:right;
1212        text-indent:-9.0pt;}
1213@list l1:level4
1214        {mso-level-tab-stop:none;
1215        mso-level-number-position:left;
1216        text-indent:-.25in;}
1217@list l1:level5
1218        {mso-level-number-format:alpha-lower;
1219        mso-level-tab-stop:none;
1220        mso-level-number-position:left;
1221        text-indent:-.25in;}
1222@list l1:level6
1223        {mso-level-number-format:roman-lower;
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1276</head>
1277
1278<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1279
1280<div class=WordSection1>
1281
1282<h1>Magnetic Structures in GSAS-II - IV</h1>
1283
1284<h2>Introduction</h2>
1285
1286<p class=MsoNormal>In this tutorial, we will show how GSAS-II makes use of the
1287Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1288<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1289k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1290style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1291class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1292class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1293Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1294to determine a magnetic crystal structure with a non-zero propagation vector.
1295If you have not done so already, you may wish to do the Simple Magnetic
1296Structures tutorial first as it contains some background information that will
1297not be covered here. It is also helpful to do parts I - III of the series of
1298Magnetic Structures tutorials. To make this work, your computer must have an
1299internet connection for GSAS-II to access this site. (We will supply the
1300project file that results after k-SUBGROUPSMAG is called in case you lack
1301internet access).</p>
1302
1303<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1304 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1324 style='width:356.25pt;height:316.5pt;visibility:visible;mso-wrap-style:square'>
1325 <v:imagedata src="Magnetic-IV_files/image005.png" o:title=""/>
1326</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1327src="Magnetic-IV_files/image006.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1328
1329<p class=MsoNormal>In this tutorial we will be examining the perovskite (Pr<sub>0.5</sub>Sr<sub>0.5</sub><span
1330class=GramE>)MnO<sub>3</sub></span>, which at low temperature is a doubled <span
1331class=SpellE>a,b,c</span>-axis variant due to a rotation of the MnO<sub>6</sub>
1332<span class=SpellE>octahedra</span> about the assigned c-axis (drawing above)
1333to give the <span class=SpellE>Fmmm</span>, a=7.508, b=7.812, c=7.684 Å chemical
1334unit cell. The neutron powder diffraction data was collected on the 3T2
1335diffractometer (LLB, <span class=SpellE>Saclay</span> France) at 10K and
1336&#955;=1.227 Å and this tutorial is based on Example 12.3 in the Jana2006
1337Cookbook (<span class=SpellE>Dušek</span>, et al., 2017). The antiferromagnetic
1338structure was originally determined by <span class=SpellE><span
1339style='font-size:11.5pt'>Knížek</span></span><span class=GramE><span
1340style='font-size:11.5pt'>,<span style='mso-spacerun:yes'>  </span>et</span></span><span
1341style='font-size:11.5pt'> al. (K. <span class=SpellE>Knížek</span>, J. <span
1342class=SpellE>Hejtmánek</span>, and Z. <span class=SpellE>Jirák</span>, C.
1343Martin, M. <span class=SpellE>Hervieu</span>, and B. <span class=SpellE>Raveau</span>,
1344G. André and F. <span class=SpellE>Bourée</span>, <i style='mso-bidi-font-style:
1345normal'>Chemistry of Materials</i>, (2004), <b style='mso-bidi-font-weight:
1346normal'>16</b>, 1104-1110). As we will see the magnetic space group is a
1347subgroup of <span class=SpellE>Fmmm</span> made principally by a loss of some
1348of the face centering symmetry. </span>We will use k-SUBGROUPSMAG to help sort
1349this out.</p>
1350
1351<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1352
1353<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1354about the internet connection!).</p>
1355
1356<h3>Step 1. Read in the data file</h3>
1357
1358<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1359style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1360style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1361the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1362mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1363minor-latin'>Import/Powder Data/from <span class=SpellE>gsas</span> powder data
1364file</span></b> menu item to read the data file into the current GSAS-II
1365project. Because you used <span style='mso-fareast-font-family:Calibri;
1366mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1367normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1368minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1369mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1370style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1371menu entry to open this page and downloaded the exercise files (recommended),
1372then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1373"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1374Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-IV/data/...</span></b><span
1375style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1376entry will bring you to the location where the files have been downloaded. (It
1377is also possible to download them manually from <a
1378href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/</a>.
1379In this case you will need to navigate to the download location manually.)<br>
1380For this tutorial the extension on the data file is the expected one, so it
1381should be immediately visible.</span></p>
1382
1383<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1384style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1385style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1386the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1387style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1388mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.gda</span></b></span><span
1389style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1390mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> data</span>
1391file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1392style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1393mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1394There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
1395normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1396minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1397style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1398mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1399minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1400style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1401mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1402minor-latin'>Yes</span></b></span> button to proceed.</p>
1403
1404<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1405style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1406style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1407this data file does not define an instrument parameter file, a file dialog will
1408appear for you to select the correct instrument parameter file. Select <span
1409class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1410"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1411minor-latin;mso-bidi-theme-font:minor-latin'>Saclay</span></b></span><b
1412style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1413mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1414minor-latin'> 3T2. <span class=SpellE><span class=GramE>instprm</span></span></span></b>;
1415you may have to change the file type in the file selection Dialog box to <b
1416style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1417mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1418minor-latin'>GSAS-II <span class=SpellE>instparm</span> file</span></b> to see
1419it. At this point the <b style='mso-bidi-font-weight:normal'><span
1420style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1421mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1422tree</span></b> window will have several entries and the plot window will show
1423the powder pattern</p>
1424
1425<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1426 id="Picture_x0020_4" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:323.25pt;
1427 height:287.25pt;visibility:visible;mso-wrap-style:square'>
1428 <v:imagedata src="Magnetic-IV_files/image007.png" o:title=""/>
1429</v:shape><![endif]--><![if !vml]><img border=0 width=431 height=383
1430src="Magnetic-IV_files/image008.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1431
1432<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1433style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1434style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>The
1435last few points in the profile are problematic; I set the upper Limit to <b
1436style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1437mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1438minor-latin'>123.5</span></b> to avoid them.</p>
1439
1440<h3>Step 2. Read in the chemical structure for (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1441class=GramE>)MnO<sub>3</sub></span></h3>
1442
1443<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1444style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1445style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1446the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1447mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1448minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1449information for (Pr<sub>.5</sub>Sr<sub>.5</sub><span class=GramE>)MnO<sub>3</sub></span>
1450into the current GSAS-II project. The file you want is <span class=SpellE><b
1451style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1452mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1453minor-latin'>PrSrMnO.cif</span></b></span> and should be in your current
1454directory. Other submenu items can read phase information in other
1455formats.<span style='mso-spacerun:yes'>  </span></p>
1456
1457<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1458style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1459style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1460the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1461style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1462mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.cif</span></b></span><b
1463style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1464mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1465minor-latin'> </span></b><span style='font-family:"Calibri",sans-serif;
1466mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1467minor-latin'>data</span> file in the first dialog and press <b
1468style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1469mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1470minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1471class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1472"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1473minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1474style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1475mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1476minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1477style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1478mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1479minor-latin'>Yes</span></b></span> button to proceed. You will get the
1480opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1481normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1482minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>);
1483press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1484mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1485minor-latin'>OK</span></b> to continue.</p>
1486
1487<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1488style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1489style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1490is the histogram selection window; this connects the phase to the data so it
1491can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span>Select
1492the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1493style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1494mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1495and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1496mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1497minor-latin'>OK</span></b>. The General tab for the phase is shown next</p>
1498
1499<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'><span
1500style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5"
1501 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:342.75pt;height:183.75pt;
1502 visibility:visible;mso-wrap-style:square'>
1503 <v:imagedata src="Magnetic-IV_files/image009.png" o:title=""/>
1504</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=245
1505src="Magnetic-IV_files/image010.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1506
1507<h3>Step 3. Check powder pattern indexing</h3>
1508
1509<p class=MsoNormal>Here the objective is to determine how the reflection
1510positions generated from the chemical (“nuclear”) crystal structure lattice
1511match up with the peaks observed for this antiferromagnet. </p>
1512
1513<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Select <b
1514style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1515mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1516minor-latin'>Unit Cells List</span></b> from the tree entries under the
1517histogram (begins with PWDR); the Indexing controls will be shown<br>
1518<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1519 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:359.25pt;height:125.25pt;
1520 visibility:visible;mso-wrap-style:square'>
1521 <v:imagedata src="Magnetic-IV_files/image011.png" o:title=""/>
1522</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=167
1523src="Magnetic-IV_files/image012.gif" v:shapes="Picture_x0020_6"><![endif]></span><br>
1524<span class=GramE>This</span> can use lattice parameters &amp; space groups to
1525generate expected reflection positions to check against the peaks in the powder
1526pattern. One could then enter this information by hand, but the easy way is to
1527use the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1528style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1529mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1530Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1531appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1532style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1533mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>).
1534This was taken from the Phases present in this project; there could be more
1535than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1536normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1537minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1538menu item allows you to get lattice information from any one of the other phase
1539containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1540style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1541mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1542and the Indexing controls will be change<br>
1543<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1544 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:362.25pt;height:126pt;
1545 visibility:visible;mso-wrap-style:square'>
1546 <v:imagedata src="Magnetic-IV_files/image013.png" o:title=""/>
1547</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=168
1548src="Magnetic-IV_files/image014.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1549
1550<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1551(Pr<sub>.5</sub>Sr<sub>.5</sub>)MnO<sub>3</sub> you had obtained from the <span
1552class=SpellE>cif</span> file and the powder pattern will change showing the
1553lines for <span class=SpellE>Fmmm</span> and those lattice parameters.</p>
1554
1555<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1556 id="Picture_x0020_9" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:360.75pt;
1557 height:320.25pt;visibility:visible;mso-wrap-style:square'>
1558 <v:imagedata src="Magnetic-IV_files/image015.png" o:title=""/>
1559</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1560src="Magnetic-IV_files/image016.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1561
1562<p class=MsoNormal>I’ve zoomed into the 6-40 <span class=SpellE>deg</span>
1563range to see that a number of peaks are not indexed by this space group (NB: <span
1564class=SpellE>Fmmm</span> lacks space group extinctions apart from F-centering
1565so there is no need to change it as in previous tutorials) and lattice. As
1566noted in the previous tutorial, antiferromagnetic ordering may force an
1567increase in the unit cell dimensions (usually a doubling or tripling of one or
1568more cell dimensions) or by removing a space group centering. Here we are
1569starting with an F-centered chemical cell so a loss of centering to get either
1570A-, B- or C- centering is a possibility to consider. To explore this we will
1571try each in turn and see how the generated reflection positions match up with
1572the observed peaks. </p>
1573
1574<p class=MsoNormal>Change the <span class=SpellE>Bravais</span> lattice to <span
1575class=SpellE>Ammm</span> and the Space group to <span class=GramE>A</span> m <span
1576class=SpellE>m</span> <span class=SpellE>m</span>; the plot will change on each
1577choice to give</p>
1578
1579<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1580 id="Picture_x0020_10" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:357.75pt;
1581 height:317.25pt;visibility:visible;mso-wrap-style:square'>
1582 <v:imagedata src="Magnetic-IV_files/image019.png" o:title=""/>
1583</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=423
1584src="Magnetic-IV_files/image029.gif" v:shapes="Picture_x0020_10"><![endif]></span></p>
1585
1586<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Those line
1587up pretty well; note the lowest angle peak &amp; the one at about 21º2&#920;.
1588Now change <span class=SpellE>Bravais</span> lattice and Space group to <span
1589class=SpellE>Bmmm</span>; a new plot will appear</p>
1590
1591<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1592 id="Picture_x0020_8" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:360.75pt;
1593 height:320.25pt;visibility:visible;mso-wrap-style:square'>
1594 <v:imagedata src="Magnetic-IV_files/image021.png" o:title=""/>
1595</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1596src="Magnetic-IV_files/image031.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1597
1598<p class=MsoNormal>The match is not quite as good; the 1<sup>st</sup> line just
1599misses the 1<sup>st</sup> peak top and the one at 21º2&#920; also misses the
1600peak top. Lastly, let’s try <span class=SpellE>Cmmm</span>; enter it for <span
1601class=SpellE>Bravais</span> lattice and space group. A new plot appears</p>
1602
1603<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1604 id="Picture_x0020_12" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:363pt;
1605 height:322.5pt;visibility:visible;mso-wrap-style:square'>
1606 <v:imagedata src="Magnetic-IV_files/image023.png" o:title=""/>
1607</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=430
1608src="Magnetic-IV_files/image032.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1609
1610<p class=MsoNormal>This fit seems even worse, so the right description is lose
1611the B- and C-centering leaving just A-centering. However, we want the A-center
1612to be magnetic; the way to do this is to assign the propagation vector <span
1613class=SpellE>k<sub>x</sub><span class=GramE>,k<sub>y</sub>,k<sub>z</sub></span></span>
1614= (1,0,0) when we run k-SUBGROUPSMAG on the parent space group (<span
1615class=SpellE>Fmmm</span>).</p>
1616
1617<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1618
1619<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1620crystallographic server so you must be connected to the internet. In the Cell
1621Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1622style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1623mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1624k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1625
1626<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1627 id="_x0000_i1037" type="#_x0000_t75" style='width:182.25pt;height:299.25pt;
1628 visibility:visible;mso-wrap-style:square'>
1629 <v:imagedata src="Magnetic-IV_files/image033.png" o:title=""/>
1630</v:shape><![endif]--><![if !vml]><img border=0 width=243 height=399
1631src="Magnetic-IV_files/image034.gif" v:shapes="_x0000_i1037"><![endif]></span></p>
1632
1633<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1634space group (<span class=SpellE>Fmmm</span>) is taken from the Space Group
1635entry on the Unit Cells window. Since we just discovered the propagation vector
1636as (1<span class=GramE>,0,0</span>) change <b style='mso-bidi-font-weight:normal'><span
1637style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1638mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kx1</span></b>
1639to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1640mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1641minor-latin'>1</span></b>. The available selections were determined by
1642surveying the known magnetic crystal structures given in the Bilbao Magnetic
1643Structures database. Select <span class=SpellE><b style='mso-bidi-font-weight:
1644normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1645minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
1646for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1647mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1648minor-latin'>test for mag atoms</span></b> and then press <b style='mso-bidi-font-weight:
1649normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1650minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1651A popup dialog will appear reminding you how to cite the Bilbao routine in any
1652paper you write using this facility.</p>
1653
1654<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1655 id="Picture_x0020_11" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:357.75pt;
1656 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1657 <v:imagedata src="Magnetic-IV_files/image027.png" o:title=""/>
1658</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1659src="Magnetic-IV_files/image035.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1660
1661<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1662style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1663mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1664the nag note will also appear on the console and after a pause, the console
1665will show “request OK” indicating that the Bilbao site has responded with some
1666results. GSAS-II will next display a File Dialog asking for a project name to
1667save this project; change the directory to a useful place for your work on this
1668tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1669normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1670minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.<o:p></o:p></span></b></p>
1671
1672<p class=MsoNormal>The GSAS-II data window will display the results from
1673k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1674this file is located in the same location as the powder data and <span
1675class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1676normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1677minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1678Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1679normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1680minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>”,
1681then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1682style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1683mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1684style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1685mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1686minor-latin'> as</span></b> to save it immediately in your working directory.).
1687The Unit Cells List window will show the results</p>
1688
1689<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1690 id="_x0000_i1035" type="#_x0000_t75" style='width:358.5pt;height:240.75pt;
1691 visibility:visible;mso-wrap-style:square'>
1692 <v:imagedata src="Magnetic-IV_files/image036.png" o:title=""/>
1693</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=321
1694src="Magnetic-IV_files/image038.gif" v:shapes="_x0000_i1035"><![endif]></span></p>
1695
1696<p class=MsoNormal>The <span class=SpellE>Uniq</span> column gives the number
1697of unique magnetic <span class=SpellE>Mn</span> atoms there are in each phase;
1698usually the correct magnetic structure has the smallest number of these. The <b
1699style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1700mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1701minor-latin'>preserve axes</span></b> option on the k-SUBGROUPSMAG is set by
1702default to transform the standard setting result from k-SUBGROUPSMAG for
1703orthorhombic to one that closely is aligned, if possible, to the parent cell
1704axes. So this list contains non-standard settings of orthorhombic space groups
1705(e.g. the chemical version of #3 P<sub>C</sub> <span class=SpellE>bmn</span> is
1706a non-standard version of P <span class=SpellE>mna</span>, #53 in International
1707Tables for Crystallography Vol A.). If desired, clearing the flag and rerunning
1708k-SUBGROUPSMAG will produce magnetic space groups in standard settings; we will
1709continue with the above set so the chemical cell and magnetic cell axes line up
1710together.</p>
1711
1712<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1713style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1714mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1715on the 4 marked Keep out of the 1<sup>st</sup> 8 solutions. Only #7 &amp; #8
1716will index the low angle peaks correctly. We’ll go with these. The solutions
1717further down are ones in which more than one symmetry generator was removed; if
1718need be we can go back and look at those. NB: running k-SUBGROUPSMAG with the
1719“Landau transition” checked will give just these 1<sup>st</sup> 8 solutions.
1720This might be appropriate because the magnetic transition for (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1721class=GramE>)MnO<sub>3</sub></span><sub> </sub>is a continuous 2<sup>nd</sup>
1722order transition. However, by doing this one might not see the correct result!</p>
1723
1724<h3>Step 5. Select 1<sup>st</sup> magnetic structure</h3>
1725
1726<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1727style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1728mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>
1729phase from the GSAS-II data tree (under Phases). The General tab is shown for
1730this nuclear phase.</p>
1731
1732<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1733 id="Picture_x0020_16" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:358.5pt;
1734 height:200.25pt;visibility:visible;mso-wrap-style:square'>
1735 <v:imagedata src="Magnetic-IV_files/image037.png" o:title=""/>
1736</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=267
1737src="Magnetic-IV_files/image040.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1738
1739<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1740style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1741mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1742magnetic phase</span></b>; that will make a small popup dialog</p>
1743
1744<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1745 id="Picture_x0020_17" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:276.75pt;
1746 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1747 <v:imagedata src="Magnetic-IV_files/image039.png" o:title=""/>
1748</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1749src="Magnetic-IV_files/image042.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1750
1751<p class=MsoNormal>This shows all magnetic phases that were marked <span
1752class=GramE>Keep</span> in the Unit Cells List; for each you see the
1753transformation and vector (the first two results we had checked to see if they
1754indexed the pattern). Select the 1<sup>st</sup> one and press <b
1755style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1756mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1757minor-latin'>OK</span></b>; a new popup dialog will appear.</p>
1758
1759<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1760 id="Picture_x0020_18" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:276.75pt;
1761 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1762 <v:imagedata src="Magnetic-IV_files/image041.png" o:title=""/>
1763</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=123
1764src="Magnetic-IV_files/image044.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1765
1766<p class=MsoNormal>This one <span class=SpellE>Mn</span> atom has an allowed
1767moment component (My). Press <span class=GramE>Yes</span> to use it. The
1768project will be saved first, then a file dialog box will appear offering a
1769project name for this magnetic structure. It is named with the number from the
1770space group list (<b style='mso-bidi-font-weight:normal'><span
1771style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1772mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3
1773mag_7.gpx</span></b>); press <b style='mso-bidi-font-weight:normal'><span
1774style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1775mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save.</span></b>
1776The new project will be opened to the General tab for the A<sub>B</sub> <span
1777class=SpellE>mma</span> magnetic phase just created.</p>
1778
1779<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1780 id="Picture_x0020_19" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:354pt;
1781 height:197.25pt;visibility:visible;mso-wrap-style:square'>
1782 <v:imagedata src="Magnetic-IV_files/image043.png" o:title=""/>
1783</v:shape><![endif]--><![if !vml]><img border=0 width=472 height=263
1784src="Magnetic-IV_files/image046.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1785
1786<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1787style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1788mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1789for the <span class=SpellE>Mn</span> atom <span class=GramE>My</span> values.
1790Then go to Draw Atoms, select them all and do <span class=GramE><b
1791style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1792mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1793minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
1794style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1795mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> Figure/Fill
1796unit cell</span></b>; you’ll see this antiferromagnetic structure</p>
1797
1798<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1799 id="Picture_x0020_20" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:5in;
1800 height:319.5pt;visibility:visible;mso-wrap-style:square'>
1801 <v:imagedata src="Magnetic-IV_files/image045.png" o:title=""/>
1802</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=426
1803src="Magnetic-IV_files/image048.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1804
1805<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1806style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1807mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>;
1808the resulting <span class=SpellE>wR</span> ~26% with some intensity for all the
1809peaks in the pattern, but the magnetic moment is probably wrong. Go to the
1810magnetic phase Atoms tab and select refine <b style='mso-bidi-font-weight:normal'><span
1811style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1812mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
1813for the <span class=SpellE>Mn</span> atom. Do <b style='mso-bidi-font-weight:
1814normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1815minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1816again; the residual drops a bit but now the errors seem to be mostly peak
1817position. Go to the General tab for both phases and check the <b
1818style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1819mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1820minor-latin'>Refine unit cell</span></b> box for each. Then go to <b
1821style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1822mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1823minor-latin'>Sample parameters</span></b> for the PWDR data set, set goniometer
1824radius to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1825mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1826minor-latin'>1000</span></b> and check both <b style='mso-bidi-font-weight:
1827normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1828minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
1829X &amp; Y <span class=SpellE>displ</span></span></b> parameters. Do <b
1830style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1831mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1832minor-latin'>Calculate/Refine</span></b> again; <span class=SpellE>wR</span> ~ 7%
1833now. To finish the refinement, include Instrument parameters <b
1834style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1835mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1836minor-latin'>U, V, W, X, Y and SH/L</span></b>; use <b style='mso-bidi-font-weight:
1837normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1838minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1839Background term and refine <b style='mso-bidi-font-weight:normal'><span
1840style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1841mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1842for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1843style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1844mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b>
1845in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1846style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1847mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1848my residual was <span class=SpellE>wR</span>=6.15% and the magnetic <span
1849class=SpellE>Mn</span> atom moment <span class=SpellE>Mz</span> = 3.41. The fit
1850shown on the plot is quite good.</p>
1851
1852<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1853 id="Picture_x0020_21" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:356.25pt;
1854 height:316.5pt;visibility:visible;mso-wrap-style:square'>
1855 <v:imagedata src="Magnetic-IV_files/image047.png" o:title=""/>
1856</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1857src="Magnetic-IV_files/image050.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1858
1859<p class=MsoNormal>I show the plot with <span class=SpellE><span class=GramE>sqrt</span></span><span
1860class=GramE>(</span>intensity) &amp; weighted difference curves; the latter is
1861clearly all within 2-3 <span style='font-family:Symbol'>s</span> of the
1862observed data. Now let’s try the other solution.</p>
1863
1864<h3>Step 6. Select 2nd magnetic structure</h3>
1865
1866<p class=MsoNormal>To continue the selection process, we need to use the saved
1867project used for the first selection because it contains the table of possible
1868magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1869normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1870minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1871project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1872normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1873minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>;
1874you’ll see a reminder to save the old project (we just did this) and select the
1875<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1876mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1877minor-latin'>PrSrMnO3</span></b> phase (should be the only one); the General
1878tab will be shown</p>
1879
1880<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1881 id="Picture_x0020_22" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:5in;
1882 height:201pt;visibility:visible;mso-wrap-style:square'>
1883 <v:imagedata src="Magnetic-IV_files/image049.png" o:title=""/>
1884</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=268
1885src="Magnetic-IV_files/image052.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1886
1887<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1888style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1889mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1890magnetic phase</span></b> from the menu; the popup should look like</p>
1891
1892<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1893 id="Picture_x0020_23" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:276.75pt;
1894 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1895 <v:imagedata src="Magnetic-IV_files/image039.png" o:title=""/>
1896</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1897src="Magnetic-IV_files/image042.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1898
1899<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
1900and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1901mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1902minor-latin'>OK</span></b>; a popup will appear</p>
1903
1904<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1905 id="Picture_x0020_24" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:281.25pt;
1906 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1907 <v:imagedata src="Magnetic-IV_files/image051.png" o:title=""/>
1908</v:shape><![endif]--><![if !vml]><img border=0 width=375 height=123
1909src="Magnetic-IV_files/image054.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1910
1911<p class=MsoNormal>In this case, the <span class=SpellE>Mn</span> atom has
1912allowed <span class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span>
1913components (the previous one had only <span class=GramE>My</span>). Press <span
1914class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1915"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1916minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> to select
1917it. The project will be saved and a new project <b style='mso-bidi-font-weight:
1918normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1919minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3
1920mag_8.gpx</span></b> will be created. The General tab for this new phase will
1921be shown</p>
1922
1923<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1924 id="Picture_x0020_25" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:355.5pt;
1925 height:209.25pt;visibility:visible;mso-wrap-style:square'>
1926 <v:imagedata src="Magnetic-IV_files/image053.png" o:title=""/>
1927</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=279
1928src="Magnetic-IV_files/image065.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
1929
1930<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mx</span>
1931&amp; My for the <span class=SpellE>Mn</span> atom to <b style='mso-bidi-font-weight:
1932normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1933minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
1934Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic
1935structure. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
1936"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1937minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> first.
1938Then set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1939"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1940minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b> refine flags for the
1941magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
1942style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1943mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
1944Add <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1945mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1946minor-latin'>sample X &amp; Y displacements</span></b> (radius = <b
1947style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1948mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1949minor-latin'>1000</span></b>) and both lattice parameters; do <b
1950style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1951mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1952minor-latin'>Calculate/Refine </span></b>(<span class=GramE>wP~</span>11% -
1953poorer than before). Then add Instrument parameters <b style='mso-bidi-font-weight:
1954normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1955minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U,
1956V, W, X, Y &amp; SH/L</span></b>; do <b style='mso-bidi-font-weight:normal'><span
1957style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1958mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1959</span></b>(<span class=SpellE>wR</span> ~10.75% - still poorer). Finally use <b
1960style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1961mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1962minor-latin'>6</span></b> background coefficients and refine <b
1963style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1964mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1965minor-latin'>XU</span></b> for the chemical phase atoms and <b
1966style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1967mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1968minor-latin'>XUM</span></b> for the magnetic atoms. Do <b style='mso-bidi-font-weight:
1969normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1970minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1971a few times until it converges. I got <span class=SpellE>wR</span> = 10.2%
1972which is definitely poorer than the result for the first model. Therefore, the
1973model #7 is the correct one with magnetic space group A<sub>B</sub> <span
1974class=SpellE>mma</span> and a moment <span class=SpellE>m<sub>z</sub></span>=3.407(12)
1975on the <span class=SpellE>Mn</span> atom. Save the bad project if you wish.
1976This concludes the tutorial.</p>
1977
1978<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1979
1980</div>
1981
1982</body>
1983
1984</html>
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