source: Tutorials/Magnetic-IV/Magnetic-IV.htm @ 3726

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411  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
412  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
413  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
414  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
415  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
416  <w:LsdException Locked="false" Priority="34" QFormat="true"
417   Name="List Paragraph"/>
418  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
419  <w:LsdException Locked="false" Priority="30" QFormat="true"
420   Name="Intense Quote"/>
421  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
422  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
423  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
424  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
425  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
426  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
427  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
428  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
429  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
430  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
431  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
432  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
433  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
434  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
435  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
436  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
439  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
440  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
441  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
442  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
443  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
444  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
445  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
446  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
447  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
448  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
449  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
450  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
453  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
454  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
455  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
456  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
457  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
458  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
459  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
460  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
461  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
462  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
463  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
464  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
467  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
468  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
469  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
470  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
471  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
472  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
473  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
474  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
475  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
476  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
477  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
478  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
481  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
482  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
483  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
484  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
485  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
486  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
487  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
488  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
489  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
490  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
491  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
492  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
495  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
496  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
497  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
498  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
499  <w:LsdException Locked="false" Priority="19" QFormat="true"
500   Name="Subtle Emphasis"/>
501  <w:LsdException Locked="false" Priority="21" QFormat="true"
502   Name="Intense Emphasis"/>
503  <w:LsdException Locked="false" Priority="31" QFormat="true"
504   Name="Subtle Reference"/>
505  <w:LsdException Locked="false" Priority="32" QFormat="true"
506   Name="Intense Reference"/>
507  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
508  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
509   UnhideWhenUsed="true" Name="Bibliography"/>
510  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
511   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
512  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
513  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
514  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
515  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
516  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
517  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
518  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
519  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
520  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
521  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
522  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
523  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
524  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
525  <w:LsdException Locked="false" Priority="46"
526   Name="Grid Table 1 Light Accent 1"/>
527  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
528  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
529  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
530  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
531  <w:LsdException Locked="false" Priority="51"
532   Name="Grid Table 6 Colorful Accent 1"/>
533  <w:LsdException Locked="false" Priority="52"
534   Name="Grid Table 7 Colorful Accent 1"/>
535  <w:LsdException Locked="false" Priority="46"
536   Name="Grid Table 1 Light Accent 2"/>
537  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
538  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
539  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
540  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
541  <w:LsdException Locked="false" Priority="51"
542   Name="Grid Table 6 Colorful Accent 2"/>
543  <w:LsdException Locked="false" Priority="52"
544   Name="Grid Table 7 Colorful Accent 2"/>
545  <w:LsdException Locked="false" Priority="46"
546   Name="Grid Table 1 Light Accent 3"/>
547  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
548  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
549  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
550  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
551  <w:LsdException Locked="false" Priority="51"
552   Name="Grid Table 6 Colorful Accent 3"/>
553  <w:LsdException Locked="false" Priority="52"
554   Name="Grid Table 7 Colorful Accent 3"/>
555  <w:LsdException Locked="false" Priority="46"
556   Name="Grid Table 1 Light Accent 4"/>
557  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
558  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
559  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
560  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
561  <w:LsdException Locked="false" Priority="51"
562   Name="Grid Table 6 Colorful Accent 4"/>
563  <w:LsdException Locked="false" Priority="52"
564   Name="Grid Table 7 Colorful Accent 4"/>
565  <w:LsdException Locked="false" Priority="46"
566   Name="Grid Table 1 Light Accent 5"/>
567  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
568  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
569  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
570  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
571  <w:LsdException Locked="false" Priority="51"
572   Name="Grid Table 6 Colorful Accent 5"/>
573  <w:LsdException Locked="false" Priority="52"
574   Name="Grid Table 7 Colorful Accent 5"/>
575  <w:LsdException Locked="false" Priority="46"
576   Name="Grid Table 1 Light Accent 6"/>
577  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
578  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
579  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
580  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
581  <w:LsdException Locked="false" Priority="51"
582   Name="Grid Table 6 Colorful Accent 6"/>
583  <w:LsdException Locked="false" Priority="52"
584   Name="Grid Table 7 Colorful Accent 6"/>
585  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
586  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
587  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
588  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
589  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
590  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
591  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
592  <w:LsdException Locked="false" Priority="46"
593   Name="List Table 1 Light Accent 1"/>
594  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
595  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
596  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
597  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
598  <w:LsdException Locked="false" Priority="51"
599   Name="List Table 6 Colorful Accent 1"/>
600  <w:LsdException Locked="false" Priority="52"
601   Name="List Table 7 Colorful Accent 1"/>
602  <w:LsdException Locked="false" Priority="46"
603   Name="List Table 1 Light Accent 2"/>
604  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
605  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
606  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
607  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
608  <w:LsdException Locked="false" Priority="51"
609   Name="List Table 6 Colorful Accent 2"/>
610  <w:LsdException Locked="false" Priority="52"
611   Name="List Table 7 Colorful Accent 2"/>
612  <w:LsdException Locked="false" Priority="46"
613   Name="List Table 1 Light Accent 3"/>
614  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
615  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
616  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
617  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
618  <w:LsdException Locked="false" Priority="51"
619   Name="List Table 6 Colorful Accent 3"/>
620  <w:LsdException Locked="false" Priority="52"
621   Name="List Table 7 Colorful Accent 3"/>
622  <w:LsdException Locked="false" Priority="46"
623   Name="List Table 1 Light Accent 4"/>
624  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
625  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
626  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
627  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
628  <w:LsdException Locked="false" Priority="51"
629   Name="List Table 6 Colorful Accent 4"/>
630  <w:LsdException Locked="false" Priority="52"
631   Name="List Table 7 Colorful Accent 4"/>
632  <w:LsdException Locked="false" Priority="46"
633   Name="List Table 1 Light Accent 5"/>
634  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
635  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
636  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
637  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
638  <w:LsdException Locked="false" Priority="51"
639   Name="List Table 6 Colorful Accent 5"/>
640  <w:LsdException Locked="false" Priority="52"
641   Name="List Table 7 Colorful Accent 5"/>
642  <w:LsdException Locked="false" Priority="46"
643   Name="List Table 1 Light Accent 6"/>
644  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
645  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
646  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
647  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
648  <w:LsdException Locked="false" Priority="51"
649   Name="List Table 6 Colorful Accent 6"/>
650  <w:LsdException Locked="false" Priority="52"
651   Name="List Table 7 Colorful Accent 6"/>
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783a:link, span.MsoHyperlink
784        {mso-style-noshow:yes;
785        mso-style-priority:99;
786        color:blue;
787        text-decoration:underline;
788        text-underline:single;}
789a:visited, span.MsoHyperlinkFollowed
790        {mso-style-noshow:yes;
791        mso-style-priority:99;
792        color:purple;
793        text-decoration:underline;
794        text-underline:single;}
795p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
796        {mso-style-noshow:yes;
797        mso-style-priority:99;
798        mso-style-link:"Document Map Char";
799        margin:0in;
800        margin-bottom:.0001pt;
801        mso-pagination:widow-orphan;
802        font-size:8.0pt;
803        font-family:"Tahoma",sans-serif;
804        mso-fareast-font-family:"Times New Roman";
805        mso-fareast-theme-font:minor-fareast;}
806p
807        {mso-style-noshow:yes;
808        mso-style-priority:99;
809        mso-margin-top-alt:auto;
810        margin-right:0in;
811        mso-margin-bottom-alt:auto;
812        margin-left:0in;
813        mso-pagination:widow-orphan;
814        font-size:12.0pt;
815        font-family:"Times New Roman",serif;
816        mso-fareast-font-family:"Times New Roman";
817        mso-fareast-theme-font:minor-fareast;}
818pre
819        {mso-style-noshow:yes;
820        mso-style-priority:99;
821        mso-style-link:"HTML Preformatted Char";
822        margin:0in;
823        margin-bottom:.0001pt;
824        mso-pagination:widow-orphan;
825        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
826        font-size:10.0pt;
827        font-family:"Courier New";
828        mso-fareast-font-family:"Times New Roman";}
829p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
830        {mso-style-noshow:yes;
831        mso-style-priority:99;
832        mso-style-link:"Balloon Text Char";
833        margin:0in;
834        margin-bottom:.0001pt;
835        mso-pagination:widow-orphan;
836        font-size:8.0pt;
837        font-family:"Tahoma",sans-serif;
838        mso-fareast-font-family:"Times New Roman";
839        mso-fareast-theme-font:minor-fareast;}
840span.MsoPlaceholderText
841        {mso-style-noshow:yes;
842        mso-style-priority:99;
843        mso-style-unhide:no;
844        color:gray;}
845p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
846        {mso-style-noshow:yes;
847        mso-style-priority:1;
848        mso-style-unhide:no;
849        mso-style-qformat:yes;
850        mso-style-parent:"";
851        margin:0in;
852        margin-bottom:.0001pt;
853        mso-pagination:widow-orphan;
854        font-size:12.0pt;
855        font-family:"Times New Roman",serif;
856        mso-fareast-font-family:"Times New Roman";
857        mso-fareast-theme-font:minor-fareast;}
858p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
859        {mso-style-noshow:yes;
860        mso-style-priority:34;
861        mso-style-unhide:no;
862        mso-style-qformat:yes;
863        margin-top:0in;
864        margin-right:0in;
865        margin-bottom:0in;
866        margin-left:.5in;
867        margin-bottom:.0001pt;
868        mso-add-space:auto;
869        mso-pagination:widow-orphan;
870        font-size:12.0pt;
871        font-family:"Times New Roman",serif;
872        mso-fareast-font-family:"Times New Roman";
873        mso-fareast-theme-font:minor-fareast;}
874p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
875        {mso-style-noshow:yes;
876        mso-style-priority:34;
877        mso-style-unhide:no;
878        mso-style-qformat:yes;
879        mso-style-type:export-only;
880        margin-top:0in;
881        margin-right:0in;
882        margin-bottom:0in;
883        margin-left:.5in;
884        margin-bottom:.0001pt;
885        mso-add-space:auto;
886        mso-pagination:widow-orphan;
887        font-size:12.0pt;
888        font-family:"Times New Roman",serif;
889        mso-fareast-font-family:"Times New Roman";
890        mso-fareast-theme-font:minor-fareast;}
891p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
892        {mso-style-noshow:yes;
893        mso-style-priority:34;
894        mso-style-unhide:no;
895        mso-style-qformat:yes;
896        mso-style-type:export-only;
897        margin-top:0in;
898        margin-right:0in;
899        margin-bottom:0in;
900        margin-left:.5in;
901        margin-bottom:.0001pt;
902        mso-add-space:auto;
903        mso-pagination:widow-orphan;
904        font-size:12.0pt;
905        font-family:"Times New Roman",serif;
906        mso-fareast-font-family:"Times New Roman";
907        mso-fareast-theme-font:minor-fareast;}
908p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
909        {mso-style-noshow:yes;
910        mso-style-priority:34;
911        mso-style-unhide:no;
912        mso-style-qformat:yes;
913        mso-style-type:export-only;
914        margin-top:0in;
915        margin-right:0in;
916        margin-bottom:0in;
917        margin-left:.5in;
918        margin-bottom:.0001pt;
919        mso-add-space:auto;
920        mso-pagination:widow-orphan;
921        font-size:12.0pt;
922        font-family:"Times New Roman",serif;
923        mso-fareast-font-family:"Times New Roman";
924        mso-fareast-theme-font:minor-fareast;}
925span.MsoIntenseReference
926        {mso-style-priority:32;
927        mso-style-unhide:no;
928        mso-style-qformat:yes;
929        font-variant:small-caps;
930        color:#C0504D;
931        mso-themecolor:accent2;
932        letter-spacing:.25pt;
933        font-weight:bold;
934        text-decoration:underline;
935        text-underline:single;}
936span.Heading1Char
937        {mso-style-name:"Heading 1 Char";
938        mso-style-priority:9;
939        mso-style-unhide:no;
940        mso-style-locked:yes;
941        mso-style-link:"Heading 1";
942        mso-ansi-font-size:24.0pt;
943        mso-bidi-font-size:24.0pt;
944        font-family:"Times New Roman",serif;
945        mso-ascii-font-family:"Times New Roman";
946        mso-fareast-font-family:"Times New Roman";
947        mso-fareast-theme-font:minor-fareast;
948        mso-hansi-font-family:"Times New Roman";
949        mso-bidi-font-family:"Times New Roman";
950        mso-font-kerning:18.0pt;
951        font-weight:bold;}
952span.Heading2Char
953        {mso-style-name:"Heading 2 Char";
954        mso-style-noshow:yes;
955        mso-style-priority:9;
956        mso-style-unhide:no;
957        mso-style-locked:yes;
958        mso-style-link:"Heading 2";
959        mso-ansi-font-size:18.0pt;
960        mso-bidi-font-size:18.0pt;
961        font-family:"Times New Roman",serif;
962        mso-ascii-font-family:"Times New Roman";
963        mso-fareast-font-family:"Times New Roman";
964        mso-fareast-theme-font:minor-fareast;
965        mso-hansi-font-family:"Times New Roman";
966        mso-bidi-font-family:"Times New Roman";
967        font-weight:bold;}
968span.Heading3Char
969        {mso-style-name:"Heading 3 Char";
970        mso-style-noshow:yes;
971        mso-style-priority:9;
972        mso-style-unhide:no;
973        mso-style-locked:yes;
974        mso-style-link:"Heading 3";
975        mso-ansi-font-size:13.5pt;
976        mso-bidi-font-size:13.5pt;
977        font-family:"Times New Roman",serif;
978        mso-ascii-font-family:"Times New Roman";
979        mso-fareast-font-family:"Times New Roman";
980        mso-fareast-theme-font:minor-fareast;
981        mso-hansi-font-family:"Times New Roman";
982        mso-bidi-font-family:"Times New Roman";
983        font-weight:bold;}
984span.Heading4Char
985        {mso-style-name:"Heading 4 Char";
986        mso-style-noshow:yes;
987        mso-style-priority:9;
988        mso-style-unhide:no;
989        mso-style-locked:yes;
990        mso-style-link:"Heading 4";
991        mso-ansi-font-size:13.0pt;
992        mso-bidi-font-size:13.0pt;
993        font-family:"Cambria",serif;
994        mso-ascii-font-family:Cambria;
995        mso-ascii-theme-font:major-latin;
996        mso-fareast-font-family:"Times New Roman";
997        mso-fareast-theme-font:major-fareast;
998        mso-hansi-font-family:Cambria;
999        mso-hansi-theme-font:major-latin;
1000        mso-bidi-font-family:"Times New Roman";
1001        mso-bidi-theme-font:major-bidi;
1002        color:#4F81BD;
1003        mso-themecolor:accent1;
1004        font-weight:bold;
1005        font-style:italic;}
1006span.Heading5Char
1007        {mso-style-name:"Heading 5 Char";
1008        mso-style-noshow:yes;
1009        mso-style-priority:9;
1010        mso-style-unhide:no;
1011        mso-style-locked:yes;
1012        mso-style-link:"Heading 5";
1013        mso-ansi-font-size:12.0pt;
1014        mso-bidi-font-size:12.0pt;
1015        font-family:"Times New Roman",serif;
1016        mso-ascii-font-family:"Times New Roman";
1017        mso-fareast-font-family:"Times New Roman";
1018        mso-fareast-theme-font:minor-fareast;
1019        mso-hansi-font-family:"Times New Roman";
1020        mso-bidi-font-family:"Times New Roman";
1021        color:#4F4FFF;
1022        font-weight:bold;}
1023span.HTMLPreformattedChar
1024        {mso-style-name:"HTML Preformatted Char";
1025        mso-style-noshow:yes;
1026        mso-style-priority:99;
1027        mso-style-unhide:no;
1028        mso-style-locked:yes;
1029        mso-style-link:"HTML Preformatted";
1030        mso-ansi-font-size:10.0pt;
1031        mso-bidi-font-size:10.0pt;
1032        font-family:"Courier New";
1033        mso-ascii-font-family:"Courier New";
1034        mso-fareast-font-family:"Times New Roman";
1035        mso-hansi-font-family:"Courier New";
1036        mso-bidi-font-family:"Courier New";}
1037p.msonormal0, li.msonormal0, div.msonormal0
1038        {mso-style-name:msonormal;
1039        mso-style-noshow:yes;
1040        mso-style-priority:99;
1041        mso-style-unhide:no;
1042        mso-margin-top-alt:auto;
1043        margin-right:0in;
1044        mso-margin-bottom-alt:auto;
1045        margin-left:0in;
1046        mso-pagination:widow-orphan;
1047        font-size:12.0pt;
1048        font-family:"Times New Roman",serif;
1049        mso-fareast-font-family:"Times New Roman";
1050        mso-fareast-theme-font:minor-fareast;}
1051span.DocumentMapChar
1052        {mso-style-name:"Document Map Char";
1053        mso-style-noshow:yes;
1054        mso-style-priority:99;
1055        mso-style-unhide:no;
1056        mso-style-locked:yes;
1057        mso-style-link:"Document Map";
1058        mso-ansi-font-size:8.0pt;
1059        mso-bidi-font-size:8.0pt;
1060        font-family:"Tahoma",sans-serif;
1061        mso-ascii-font-family:Tahoma;
1062        mso-fareast-font-family:"Times New Roman";
1063        mso-fareast-theme-font:minor-fareast;
1064        mso-hansi-font-family:Tahoma;
1065        mso-bidi-font-family:Tahoma;}
1066span.BalloonTextChar
1067        {mso-style-name:"Balloon Text Char";
1068        mso-style-noshow:yes;
1069        mso-style-priority:99;
1070        mso-style-unhide:no;
1071        mso-style-locked:yes;
1072        mso-style-link:"Balloon Text";
1073        mso-ansi-font-size:8.0pt;
1074        mso-bidi-font-size:8.0pt;
1075        font-family:"Tahoma",sans-serif;
1076        mso-ascii-font-family:Tahoma;
1077        mso-fareast-font-family:"Times New Roman";
1078        mso-fareast-theme-font:minor-fareast;
1079        mso-hansi-font-family:Tahoma;
1080        mso-bidi-font-family:Tahoma;}
1081span.GSAS-IItextChar
1082        {mso-style-name:"GSAS-II text Char";
1083        mso-style-unhide:no;
1084        mso-style-locked:yes;
1085        mso-style-link:"GSAS-II text";
1086        mso-ansi-font-size:12.0pt;
1087        mso-bidi-font-size:12.0pt;
1088        font-family:"Times New Roman",serif;
1089        mso-ascii-font-family:"Times New Roman";
1090        mso-fareast-font-family:"Times New Roman";
1091        mso-fareast-theme-font:minor-fareast;
1092        mso-hansi-font-family:"Times New Roman";
1093        mso-bidi-font-family:Calibri;
1094        mso-bidi-theme-font:minor-latin;
1095        font-weight:bold;
1096        mso-bidi-font-weight:normal;}
1097p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1098        {mso-style-name:"GSAS-II text";
1099        mso-style-noshow:yes;
1100        mso-style-priority:99;
1101        mso-style-unhide:no;
1102        mso-style-link:"GSAS-II text Char";
1103        margin:0in;
1104        margin-bottom:.0001pt;
1105        mso-pagination:widow-orphan;
1106        font-size:12.0pt;
1107        font-family:"Calibri",sans-serif;
1108        mso-ascii-font-family:Calibri;
1109        mso-ascii-theme-font:minor-latin;
1110        mso-fareast-font-family:"Times New Roman";
1111        mso-fareast-theme-font:minor-fareast;
1112        mso-hansi-font-family:Calibri;
1113        mso-hansi-theme-font:minor-latin;
1114        mso-bidi-font-family:Calibri;
1115        mso-bidi-theme-font:minor-latin;
1116        font-weight:bold;
1117        mso-bidi-font-weight:normal;}
1118span.SpellE
1119        {mso-style-name:"";
1120        mso-spl-e:yes;}
1121span.GramE
1122        {mso-style-name:"";
1123        mso-gram-e:yes;}
1124.MsoChpDefault
1125        {mso-style-type:export-only;
1126        mso-default-props:yes;
1127        font-size:10.0pt;
1128        mso-ansi-font-size:10.0pt;
1129        mso-bidi-font-size:10.0pt;
1130        font-family:"Calibri",sans-serif;
1131        mso-ascii-font-family:Calibri;
1132        mso-ascii-theme-font:minor-latin;
1133        mso-fareast-font-family:Calibri;
1134        mso-fareast-theme-font:minor-latin;
1135        mso-hansi-font-family:Calibri;
1136        mso-hansi-theme-font:minor-latin;
1137        mso-bidi-font-family:"Times New Roman";
1138        mso-bidi-theme-font:minor-bidi;}
1139@page WordSection1
1140        {size:8.5in 11.0in;
1141        margin:1.0in 1.0in 1.0in 1.0in;
1142        mso-header-margin:.5in;
1143        mso-footer-margin:.5in;
1144        mso-paper-source:0;}
1145div.WordSection1
1146        {page:WordSection1;}
1147 /* List Definitions */
1148 @list l0
1149        {mso-list-id:202911215;
1150        mso-list-type:hybrid;
1151        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1152@list l0:level1
1153        {mso-level-tab-stop:none;
1154        mso-level-number-position:left;
1155        text-indent:-.25in;}
1156@list l0:level2
1157        {mso-level-number-format:alpha-lower;
1158        mso-level-tab-stop:none;
1159        mso-level-number-position:left;
1160        text-indent:-.25in;}
1161@list l0:level3
1162        {mso-level-number-format:roman-lower;
1163        mso-level-tab-stop:none;
1164        mso-level-number-position:right;
1165        text-indent:-9.0pt;}
1166@list l0:level4
1167        {mso-level-tab-stop:none;
1168        mso-level-number-position:left;
1169        text-indent:-.25in;}
1170@list l0:level5
1171        {mso-level-number-format:alpha-lower;
1172        mso-level-tab-stop:none;
1173        mso-level-number-position:left;
1174        text-indent:-.25in;}
1175@list l0:level6
1176        {mso-level-number-format:roman-lower;
1177        mso-level-tab-stop:none;
1178        mso-level-number-position:right;
1179        text-indent:-9.0pt;}
1180@list l0:level7
1181        {mso-level-tab-stop:none;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l0:level8
1185        {mso-level-number-format:alpha-lower;
1186        mso-level-tab-stop:none;
1187        mso-level-number-position:left;
1188        text-indent:-.25in;}
1189@list l0:level9
1190        {mso-level-number-format:roman-lower;
1191        mso-level-tab-stop:none;
1192        mso-level-number-position:right;
1193        text-indent:-9.0pt;}
1194@list l1
1195        {mso-list-id:479426291;
1196        mso-list-type:hybrid;
1197        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1198@list l1:level1
1199        {mso-level-tab-stop:none;
1200        mso-level-number-position:left;
1201        text-indent:-.25in;}
1202@list l1:level2
1203        {mso-level-number-format:alpha-lower;
1204        mso-level-tab-stop:none;
1205        mso-level-number-position:left;
1206        text-indent:-.25in;}
1207@list l1:level3
1208        {mso-level-number-format:roman-lower;
1209        mso-level-tab-stop:none;
1210        mso-level-number-position:right;
1211        text-indent:-9.0pt;}
1212@list l1:level4
1213        {mso-level-tab-stop:none;
1214        mso-level-number-position:left;
1215        text-indent:-.25in;}
1216@list l1:level5
1217        {mso-level-number-format:alpha-lower;
1218        mso-level-tab-stop:none;
1219        mso-level-number-position:left;
1220        text-indent:-.25in;}
1221@list l1:level6
1222        {mso-level-number-format:roman-lower;
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1275</head>
1276
1277<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1278
1279<div class=WordSection1>
1280
1281<h1>Magnetic Structures in GSAS-II - IV</h1>
1282
1283<h2>Introduction</h2>
1284
1285<p class=MsoNormal>In this tutorial, we will show how GSAS-II makes use of the
1286Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1287<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1288k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1289style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1290class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1291class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1292Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1293to determine a magnetic crystal structure with a non-zero propagation vector.
1294If you have not done so already, you may wish to do the Simple Magnetic
1295Structures tutorial first as it contains some background information that will
1296not be covered here. It is also helpful to do parts I - III of the series of
1297Magnetic Structures tutorials. To make this work, your computer must have an
1298internet connection for GSAS-II to access this site. (We will supply the
1299project file that results after k-SUBGROUPSMAG is called in case you lack
1300internet access).</p>
1301
1302<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1303 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1324 <v:imagedata src="Magnetic-IV_files/image001.png" o:title=""/>
1325</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1326src="Magnetic-IV_files/image043.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1327
1328<p class=MsoNormal>In this tutorial we will be examining the perovskite (Pr<sub>0.5</sub>Sr<sub>0.5</sub><span
1329class=GramE>)MnO<sub>3</sub></span>, which at low temperature is a doubled <span
1330class=SpellE>a,b,c</span>-axis variant due to a rotation of the MnO<sub>6</sub>
1331<span class=SpellE>octahedra</span> about the assigned c-axis (drawing above)
1332to give the <span class=SpellE>Fmmm</span>, a=7.508, b=7.812, c=7.684 Å
1333chemical unit cell. The neutron powder diffraction data was collected on the
13343T2 diffractometer (LLB, <span class=SpellE>Saclay</span> France) at 10K and
1335&#955;=1.227 Å and this tutorial is based on Example 12.3 in the Jana2006
1336Cookbook (<span class=SpellE>Dušek</span>, et al., 2017). The antiferromagnetic
1337structure was originally determined by <span class=SpellE><span
1338style='font-size:11.5pt'>Knížek</span></span><span class=GramE><span
1339style='font-size:11.5pt'>,<span style='mso-spacerun:yes'>  </span>et</span></span><span
1340style='font-size:11.5pt'> al. (K. <span class=SpellE>Knížek</span>, J. <span
1341class=SpellE>Hejtmánek</span>, and Z. <span class=SpellE>Jirák</span>, C.
1342Martin, M. <span class=SpellE>Hervieu</span>, and B. <span class=SpellE>Raveau</span>,
1343G. André and F. <span class=SpellE>Bourée</span>, <i style='mso-bidi-font-style:
1344normal'>Chemistry of Materials</i>, (2004), <b style='mso-bidi-font-weight:
1345normal'>16</b>, 1104-1110). As we will see the magnetic space group is a
1346subgroup of <span class=SpellE>Fmmm</span> made principally by a loss of some
1347of the face centering symmetry. </span>We will use k-SUBGROUPSMAG to help sort
1348this out.</p>
1349
1350<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1351
1352<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1353about the internet connection!).</p>
1354
1355<h3>Step 1. Read in the data file</h3>
1356
1357<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1358style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1359style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1360the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1361mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1362minor-latin'>Import/Powder Data/from <span class=SpellE>gsas</span> powder data
1363file</span></b> menu item to read the data file into the current GSAS-II
1364project. Because you used <span style='mso-fareast-font-family:Calibri;
1365mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1366normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1367minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1368mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1369style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1370menu entry to open this page and downloaded the exercise files (recommended),
1371then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1372"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1373Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-IV/data/...</span></b><span
1374style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1375entry will bring you to the location where the files have been downloaded. (It
1376is also possible to download them manually from <a
1377href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/</a>.
1378In this case you will need to navigate to the download location manually.)<br>
1379For this tutorial the extension on the data file is the expected one, so it
1380should be immediately visible.</span></p>
1381
1382<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1385the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1386style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1387mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.gda</span></b></span><span
1388style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1389mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> data</span>
1390file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1391style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1392mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1393There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
1394normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1395minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1396style='mso-bidi-font-weight:normal'><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'> this the file you want?</span></b> Press <span class=GramE><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'>Yes</span></b></span> button to proceed.</p>
1402
1403<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1404style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1405style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1406this data file does not define an instrument parameter file, a file dialog will
1407appear for you to select the correct instrument parameter file. Select <span
1408class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1409"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1410minor-latin;mso-bidi-theme-font:minor-latin'>Saclay</span></b></span><b
1411style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1412mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1413minor-latin'> 3T2. <span class=SpellE><span class=GramE>instprm</span></span></span></b>;
1414you may have to change the file type in the file selection Dialog box to <b
1415style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1416mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1417minor-latin'>GSAS-II <span class=SpellE>instparm</span> file</span></b> to see
1418it. At this point the <b style='mso-bidi-font-weight:normal'><span
1419style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1420mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1421tree</span></b> window will have several entries and the plot window will show
1422the powder pattern</p>
1423
1424<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1425 id="Picture_x0020_4" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:323.25pt;
1426 height:287.25pt;visibility:visible;mso-wrap-style:square'>
1427 <v:imagedata src="Magnetic-IV_files/image003.png" o:title=""/>
1428</v:shape><![endif]--><![if !vml]><img border=0 width=431 height=383
1429src="Magnetic-IV_files/image044.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1430
1431<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1432style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1433style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>The
1434last few points in the profile are problematic; I set the upper Limit to <b
1435style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1436mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1437minor-latin'>123.5</span></b> to avoid them.</p>
1438
1439<h3>Step 2. Read in the chemical structure for (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1440class=GramE>)MnO<sub>3</sub></span></h3>
1441
1442<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1443style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1444style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1445the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1446mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1447minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1448information for (Pr<sub>.5</sub>Sr<sub>.5</sub><span class=GramE>)MnO<sub>3</sub></span>
1449into the current GSAS-II project. The file you want is <span class=SpellE><b
1450style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1451mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1452minor-latin'>PrSrMnO.cif</span></b></span> and should be in your current
1453directory. Other submenu items can read phase information in other
1454formats.<span style='mso-spacerun:yes'>  </span></p>
1455
1456<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1457style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1458style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1459the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1460style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1461mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.cif</span></b></span><b
1462style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1463mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1464minor-latin'> </span></b><span style='font-family:"Calibri",sans-serif;
1465mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1466minor-latin'>data</span> file in the first dialog and press <b
1467style='mso-bidi-font-weight:normal'><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'>Open</span></b>. There will be a Dialog box asking <span
1470class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1471"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1472minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1473style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1474mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1475minor-latin'> this the file you want?</span></b> Press <span class=GramE><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'>Yes</span></b></span> button to proceed. You will get the
1479opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1480normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1481minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>);
1482press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1483mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1484minor-latin'>OK</span></b> to continue.</p>
1485
1486<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1487style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1488style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1489is the histogram selection window; this connects the phase to the data so it
1490can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span>Select
1491the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1492style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1493mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1494and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1495mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1496minor-latin'>OK</span></b>. The General tab for the phase is shown next</p>
1497
1498<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'><span
1499style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5"
1500 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:342.75pt;height:183.75pt;
1501 visibility:visible;mso-wrap-style:square'>
1502 <v:imagedata src="Magnetic-IV_files/image005.png" o:title=""/>
1503</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=245
1504src="Magnetic-IV_files/image045.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1505
1506<h3>Step 3. Check powder pattern indexing</h3>
1507
1508<p class=MsoNormal>Here the objective is to determine how the reflection
1509positions generated from the chemical (“nuclear”) crystal structure lattice
1510match up with the peaks observed for this antiferromagnet. </p>
1511
1512<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Select <b
1513style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1514mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1515minor-latin'>Unit Cells List</span></b> from the tree entries under the
1516histogram (begins with PWDR); the Indexing controls will be shown<br>
1517<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1518 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:359.25pt;height:125.25pt;
1519 visibility:visible;mso-wrap-style:square'>
1520 <v:imagedata src="Magnetic-IV_files/image007.png" o:title=""/>
1521</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=167
1522src="Magnetic-IV_files/image046.gif" v:shapes="Picture_x0020_6"><![endif]></span><br>
1523<span class=GramE>This</span> can use lattice parameters &amp; space groups to
1524generate expected reflection positions to check against the peaks in the powder
1525pattern. One could then enter this information by hand, but the easy way is to
1526use the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1527style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1528mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1529Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1530appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1531style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1532mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>).
1533This was taken from the Phases present in this project; there could be more
1534than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1535normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1536minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1537menu item allows you to get lattice information from any one of the other phase
1538containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1539style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1540mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1541and the Indexing controls will be change<br>
1542<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1543 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:362.25pt;height:126pt;
1544 visibility:visible;mso-wrap-style:square'>
1545 <v:imagedata src="Magnetic-IV_files/image009.png" o:title=""/>
1546</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=168
1547src="Magnetic-IV_files/image047.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1548
1549<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1550(Pr<sub>.5</sub>Sr<sub>.5</sub>)MnO<sub>3</sub> you had obtained from the <span
1551class=SpellE>cif</span> file and the powder pattern will change showing the
1552lines for <span class=SpellE>Fmmm</span> and those lattice parameters.</p>
1553
1554<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1555 id="_x0000_i1041" type="#_x0000_t75" style='width:360.75pt;height:320.25pt;
1556 visibility:visible;mso-wrap-style:square'>
1557 <v:imagedata src="Magnetic-IV_files/image011.png" o:title=""/>
1558</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1559src="Magnetic-IV_files/image048.gif" v:shapes="_x0000_i1041"><![endif]></span></p>
1560
1561<p class=MsoNormal>I’ve zoomed into the 6-40 <span class=SpellE>deg</span>
1562range to see that a number of peaks are not indexed by this space group (NB: <span
1563class=SpellE>Fmmm</span> lacks space group extinctions apart from F-centering
1564so there is no need to change it as in previous tutorials) and lattice. As
1565noted in the previous tutorial, antiferromagnetic ordering may force an
1566increase in the unit cell dimensions (usually a doubling or tripling of one or
1567more cell dimensions) or by removing a space group centering. Here we are
1568starting with an F-centered chemical cell so a loss of centering to get either
1569A-, B- or C- centering is a possibility to consider. To explore this we will
1570try each in turn and see how the generated reflection positions match up with
1571the observed peaks. </p>
1572
1573<p class=MsoNormal>Change the <span class=SpellE>Bravais</span> lattice to <span
1574class=SpellE>Ammm</span> and the Space group to <span class=GramE>A</span> m <span
1575class=SpellE>m</span> <span class=SpellE>m</span>; the plot will change on each
1576choice to give</p>
1577
1578<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1579 id="_x0000_i1040" type="#_x0000_t75" style='width:357.75pt;height:317.25pt;
1580 visibility:visible;mso-wrap-style:square'>
1581 <v:imagedata src="Magnetic-IV_files/image013.png" o:title=""/>
1582</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=423
1583src="Magnetic-IV_files/image049.gif" v:shapes="_x0000_i1040"><![endif]></span></p>
1584
1585<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Those line
1586up pretty well; note the lowest angle peak &amp; the one at about 21º2&#920;.
1587Now change <span class=SpellE>Bravais</span> lattice and Space group to <span
1588class=SpellE>Bmmm</span>; a new plot will appear</p>
1589
1590<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1591 id="Picture_x0020_8" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:360.75pt;
1592 height:320.25pt;visibility:visible;mso-wrap-style:square'>
1593 <v:imagedata src="Magnetic-IV_files/image015.png" o:title=""/>
1594</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1595src="Magnetic-IV_files/image050.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1596
1597<p class=MsoNormal>The match is not quite as good; the 1<sup>st</sup> line just
1598misses the 1<sup>st</sup> peak top and the one at 21º2&#920; also misses the peak
1599top. Lastly, let’s try <span class=SpellE>Cmmm</span>; enter it for <span
1600class=SpellE>Bravais</span> lattice and space group. A new plot appears</p>
1601
1602<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1603 id="Picture_x0020_9" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:363pt;
1604 height:322.5pt;visibility:visible;mso-wrap-style:square'>
1605 <v:imagedata src="Magnetic-IV_files/image017.png" o:title=""/>
1606</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=430
1607src="Magnetic-IV_files/image051.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1608
1609<p class=MsoNormal>This fit seems even worse, so the right description is lose
1610the B- and C-centering leaving just A-centering. However, we want the A-center
1611to be magnetic; the way to do this is to assign the propagation vector <span
1612class=SpellE>k<sub>x</sub><span class=GramE>,k<sub>y</sub>,k<sub>z</sub></span></span>
1613= (1,0,0) when we run k-SUBGROUPSMAG on the parent space group (<span
1614class=SpellE>Fmmm</span>).</p>
1615
1616<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1617
1618<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1619crystallographic server so you must be connected to the internet. In the Cell
1620Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1621style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1622mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1623k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1624
1625<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1626 id="Picture_x0020_10" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:207.75pt;
1627 height:225.75pt;visibility:visible;mso-wrap-style:square'>
1628 <v:imagedata src="Magnetic-IV_files/image019.png" o:title=""/>
1629</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
1630src="Magnetic-IV_files/image052.gif" v:shapes="Picture_x0020_10"><![endif]></span></p>
1631
1632<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1633space group (<span class=SpellE>Fmmm</span>) is taken from the Space Group
1634entry on the Unit Cells window. Since we just discovered the propagation vector
1635as (1<span class=GramE>,0,0</span>) change <b style='mso-bidi-font-weight:normal'><span
1636style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1637mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kx1</span></b>
1638to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1639mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1640minor-latin'>1</span></b>. The available selections were determined by
1641surveying the known magnetic crystal structures given in the Bilbao Magnetic
1642Structures database. Select <span class=SpellE><b style='mso-bidi-font-weight:
1643normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1644minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
1645for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1646mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1647minor-latin'>test for mag atoms</span></b> and then press <b style='mso-bidi-font-weight:
1648normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1649minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1650A popup dialog will appear reminding you how to cite the Bilbao routine in any
1651paper you write using this facility.</p>
1652
1653<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1654 id="Picture_x0020_11" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:357.75pt;
1655 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1656 <v:imagedata src="Magnetic-IV_files/image021.png" o:title=""/>
1657</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1658src="Magnetic-IV_files/image053.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1659
1660<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1661style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1662mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1663the nag note will also appear on the console and after a pause, the console
1664will show “request OK” indicating that the Bilbao site has responded with some
1665results. GSAS-II will next display a File Dialog asking for a project name to
1666save this project; change the directory to a useful place for your work on this
1667tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1668normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1669minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.<o:p></o:p></span></b></p>
1670
1671<p class=MsoNormal>The GSAS-II data window will display the results from
1672k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1673this file is located in the same location as the powder data and <span
1674class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1675normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1676minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1677Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1678normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1679minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>”,
1680then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1681style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1682mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1683style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1684mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1685minor-latin'> as</span></b> to save it immediately in your working directory.).
1686The Unit Cells List window will show the results</p>
1687
1688<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1689 id="_x0000_i1035" type="#_x0000_t75" style='width:5in;height:292.5pt;
1690 visibility:visible;mso-wrap-style:square'>
1691 <v:imagedata src="Magnetic-IV_files/image054.png" o:title=""/>
1692</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=390
1693src="Magnetic-IV_files/image055.gif" v:shapes="_x0000_i1035"><![endif]></span></p>
1694
1695<p class=MsoNormal>The <span class=SpellE>Uniq</span> column gives the number
1696of unique magnetic <span class=SpellE>Mn</span> atoms there are in each phase;
1697usually the correct magnetic structure has the smallest number of these. The <b
1698style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1699mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1700minor-latin'>preserve axes</span></b> option on the k-SUBGROUPSMAG is set by
1701default to transform the standard setting result from k-SUBGROUPSMAG for
1702orthorhombic to one that closely is aligned, if possible, to the parent cell
1703axes. So this list contains non-standard settings of orthorhombic space groups
1704(e.g. the chemical version of #3 P<sub>C</sub> <span class=SpellE>bmn</span> is
1705a non-standard version of P <span class=SpellE>mna</span>, #53 in International
1706Tables for Crystallography Vol A.). If desired, clearing the flag and rerunning
1707k-SUBGROUPSMAG will produce magnetic space groups in standard settings; we will
1708continue with the above set so the chemical cell and magnetic cell axes line up
1709together.</p>
1710
1711<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1712style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1713mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1714on the 4 marked Keep out of the 1<sup>st</sup> 8 solutions. Only #7 &amp; #8
1715will index the low angle peaks correctly. We’ll go with these. The solutions
1716further down are ones in which more than one symmetry generator was removed (<span
1717class=SpellE>nSup</span> &gt; 1); if need be we can go back and look at those.
1718NB: running k-SUBGROUPSMAG with the “Landau transition” checked will give just
1719these 1<sup>st</sup> 8 solutions. This might be appropriate because the
1720magnetic transition for (Pr<sub>.5</sub>Sr<sub>.5</sub><span class=GramE>)MnO<sub>3</sub></span><sub>
1721</sub>is a continuous 2<sup>nd</sup> order transition. However, by doing this in
1722other cases 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/image025.png" o:title=""/>
1736</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=267
1737src="Magnetic-IV_files/image056.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/image027.png" o:title=""/>
1748</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1749src="Magnetic-IV_files/image057.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/image029.png" o:title=""/>
1763</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=123
1764src="Magnetic-IV_files/image058.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/image031.png" o:title=""/>
1783</v:shape><![endif]--><![if !vml]><img border=0 width=472 height=263
1784src="Magnetic-IV_files/image059.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/image033.png" o:title=""/>
1802</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=426
1803src="Magnetic-IV_files/image060.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> ~
18337% now. 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/image035.png" o:title=""/>
1856</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1857src="Magnetic-IV_files/image061.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/image037.png" o:title=""/>
1884</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=268
1885src="Magnetic-IV_files/image062.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/image027.png" o:title=""/>
1896</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1897src="Magnetic-IV_files/image057.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/image039.png" o:title=""/>
1908</v:shape><![endif]--><![if !vml]><img border=0 width=375 height=123
1909src="Magnetic-IV_files/image063.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/image041.png" o:title=""/>
1927</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=279
1928src="Magnetic-IV_files/image064.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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