source: Tutorials/Magnetic-I/Magnetic Structures-I.htm @ 3639

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412  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
413  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
414  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
415  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
416  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
417  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
418  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
419  <w:LsdException Locked="false" Priority="34" QFormat="true"
420   Name="List Paragraph"/>
421  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
422  <w:LsdException Locked="false" Priority="30" QFormat="true"
423   Name="Intense Quote"/>
424  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
425  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
426  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
427  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
428  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
429  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
430  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
431  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
432  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
433  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
434  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
435  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
436  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
437  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
438  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
439  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
440  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
441  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
442  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
443  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
444  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
445  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
446  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
447  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
448  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
449  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
450  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
451  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
452  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
453  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
454  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
455  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
456  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
457  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
458  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
459  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
460  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
461  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
462  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
463  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
464  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
465  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
466  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
467  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
468  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
469  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
470  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
471  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
472  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
473  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
474  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
475  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
476  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
477  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
478  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
479  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
480  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
481  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
482  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
483  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
484  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
485  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
486  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
487  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
488  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
489  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
490  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
491  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
492  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
493  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
494  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
495  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
496  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
497  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
498  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
499  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
500  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
501  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
502  <w:LsdException Locked="false" Priority="19" QFormat="true"
503   Name="Subtle Emphasis"/>
504  <w:LsdException Locked="false" Priority="21" QFormat="true"
505   Name="Intense Emphasis"/>
506  <w:LsdException Locked="false" Priority="31" QFormat="true"
507   Name="Subtle Reference"/>
508  <w:LsdException Locked="false" Priority="32" QFormat="true"
509   Name="Intense Reference"/>
510  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
511  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
512   UnhideWhenUsed="true" Name="Bibliography"/>
513  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
514   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
515  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
516  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
517  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
518  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
519  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
520  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
521  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
522  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
523  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
524  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
525  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
526  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
527  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
528  <w:LsdException Locked="false" Priority="46"
529   Name="Grid Table 1 Light Accent 1"/>
530  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
531  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
532  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
533  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
534  <w:LsdException Locked="false" Priority="51"
535   Name="Grid Table 6 Colorful Accent 1"/>
536  <w:LsdException Locked="false" Priority="52"
537   Name="Grid Table 7 Colorful Accent 1"/>
538  <w:LsdException Locked="false" Priority="46"
539   Name="Grid Table 1 Light Accent 2"/>
540  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
541  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
542  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
543  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
544  <w:LsdException Locked="false" Priority="51"
545   Name="Grid Table 6 Colorful Accent 2"/>
546  <w:LsdException Locked="false" Priority="52"
547   Name="Grid Table 7 Colorful Accent 2"/>
548  <w:LsdException Locked="false" Priority="46"
549   Name="Grid Table 1 Light Accent 3"/>
550  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
551  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
552  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
553  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
554  <w:LsdException Locked="false" Priority="51"
555   Name="Grid Table 6 Colorful Accent 3"/>
556  <w:LsdException Locked="false" Priority="52"
557   Name="Grid Table 7 Colorful Accent 3"/>
558  <w:LsdException Locked="false" Priority="46"
559   Name="Grid Table 1 Light Accent 4"/>
560  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
561  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
562  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
563  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
564  <w:LsdException Locked="false" Priority="51"
565   Name="Grid Table 6 Colorful Accent 4"/>
566  <w:LsdException Locked="false" Priority="52"
567   Name="Grid Table 7 Colorful Accent 4"/>
568  <w:LsdException Locked="false" Priority="46"
569   Name="Grid Table 1 Light Accent 5"/>
570  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
571  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
572  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
573  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
574  <w:LsdException Locked="false" Priority="51"
575   Name="Grid Table 6 Colorful Accent 5"/>
576  <w:LsdException Locked="false" Priority="52"
577   Name="Grid Table 7 Colorful Accent 5"/>
578  <w:LsdException Locked="false" Priority="46"
579   Name="Grid Table 1 Light Accent 6"/>
580  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
581  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
582  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
583  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
584  <w:LsdException Locked="false" Priority="51"
585   Name="Grid Table 6 Colorful Accent 6"/>
586  <w:LsdException Locked="false" Priority="52"
587   Name="Grid Table 7 Colorful Accent 6"/>
588  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
589  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
590  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
591  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
592  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
593  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
594  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
595  <w:LsdException Locked="false" Priority="46"
596   Name="List Table 1 Light Accent 1"/>
597  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
598  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
599  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
600  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
601  <w:LsdException Locked="false" Priority="51"
602   Name="List Table 6 Colorful Accent 1"/>
603  <w:LsdException Locked="false" Priority="52"
604   Name="List Table 7 Colorful Accent 1"/>
605  <w:LsdException Locked="false" Priority="46"
606   Name="List Table 1 Light Accent 2"/>
607  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
608  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
609  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
610  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
611  <w:LsdException Locked="false" Priority="51"
612   Name="List Table 6 Colorful Accent 2"/>
613  <w:LsdException Locked="false" Priority="52"
614   Name="List Table 7 Colorful Accent 2"/>
615  <w:LsdException Locked="false" Priority="46"
616   Name="List Table 1 Light Accent 3"/>
617  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
618  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
619  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
620  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
621  <w:LsdException Locked="false" Priority="51"
622   Name="List Table 6 Colorful Accent 3"/>
623  <w:LsdException Locked="false" Priority="52"
624   Name="List Table 7 Colorful Accent 3"/>
625  <w:LsdException Locked="false" Priority="46"
626   Name="List Table 1 Light Accent 4"/>
627  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
628  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
629  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
630  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
631  <w:LsdException Locked="false" Priority="51"
632   Name="List Table 6 Colorful Accent 4"/>
633  <w:LsdException Locked="false" Priority="52"
634   Name="List Table 7 Colorful Accent 4"/>
635  <w:LsdException Locked="false" Priority="46"
636   Name="List Table 1 Light Accent 5"/>
637  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
638  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
639  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
640  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
641  <w:LsdException Locked="false" Priority="51"
642   Name="List Table 6 Colorful Accent 5"/>
643  <w:LsdException Locked="false" Priority="52"
644   Name="List Table 7 Colorful Accent 5"/>
645  <w:LsdException Locked="false" Priority="46"
646   Name="List Table 1 Light Accent 6"/>
647  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
648  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
649  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
650  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
651  <w:LsdException Locked="false" Priority="51"
652   Name="List Table 6 Colorful Accent 6"/>
653  <w:LsdException Locked="false" Priority="52"
654   Name="List Table 7 Colorful Accent 6"/>
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782        margin-right:0in;
783        mso-margin-bottom-alt:auto;
784        margin-left:0in;
785        mso-pagination:widow-orphan;
786        mso-outline-level:5;
787        font-size:12.0pt;
788        font-family:"Times New Roman",serif;
789        mso-fareast-font-family:"Times New Roman";
790        mso-fareast-theme-font:minor-fareast;
791        color:#4F4FFF;
792        font-weight:bold;}
793a:link, span.MsoHyperlink
794        {mso-style-noshow:yes;
795        mso-style-priority:99;
796        color:blue;
797        text-decoration:underline;
798        text-underline:single;}
799a:visited, span.MsoHyperlinkFollowed
800        {mso-style-noshow:yes;
801        mso-style-priority:99;
802        color:purple;
803        text-decoration:underline;
804        text-underline:single;}
805p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
806        {mso-style-noshow:yes;
807        mso-style-priority:99;
808        mso-style-link:"Document Map Char";
809        margin:0in;
810        margin-bottom:.0001pt;
811        mso-pagination:widow-orphan;
812        font-size:8.0pt;
813        font-family:"Tahoma",sans-serif;
814        mso-fareast-font-family:"Times New Roman";
815        mso-fareast-theme-font:minor-fareast;}
816p
817        {mso-style-noshow:yes;
818        mso-style-priority:99;
819        mso-margin-top-alt:auto;
820        margin-right:0in;
821        mso-margin-bottom-alt:auto;
822        margin-left:0in;
823        mso-pagination:widow-orphan;
824        font-size:12.0pt;
825        font-family:"Times New Roman",serif;
826        mso-fareast-font-family:"Times New Roman";
827        mso-fareast-theme-font:minor-fareast;}
828pre
829        {mso-style-noshow:yes;
830        mso-style-priority:99;
831        mso-style-link:"HTML Preformatted Char";
832        margin:0in;
833        margin-bottom:.0001pt;
834        mso-pagination:widow-orphan;
835        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;
836        font-size:10.0pt;
837        font-family:"Courier New";
838        mso-fareast-font-family:"Times New Roman";}
839p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
840        {mso-style-noshow:yes;
841        mso-style-priority:99;
842        mso-style-link:"Balloon Text Char";
843        margin:0in;
844        margin-bottom:.0001pt;
845        mso-pagination:widow-orphan;
846        font-size:8.0pt;
847        font-family:"Tahoma",sans-serif;
848        mso-fareast-font-family:"Times New Roman";
849        mso-fareast-theme-font:minor-fareast;}
850span.MsoPlaceholderText
851        {mso-style-noshow:yes;
852        mso-style-priority:99;
853        mso-style-unhide:no;
854        color:gray;}
855p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
856        {mso-style-noshow:yes;
857        mso-style-priority:1;
858        mso-style-unhide:no;
859        mso-style-qformat:yes;
860        mso-style-parent:"";
861        margin:0in;
862        margin-bottom:.0001pt;
863        mso-pagination:widow-orphan;
864        font-size:12.0pt;
865        font-family:"Times New Roman",serif;
866        mso-fareast-font-family:"Times New Roman";
867        mso-fareast-theme-font:minor-fareast;}
868p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
869        {mso-style-noshow:yes;
870        mso-style-priority:34;
871        mso-style-unhide:no;
872        mso-style-qformat:yes;
873        margin-top:0in;
874        margin-right:0in;
875        margin-bottom:0in;
876        margin-left:.5in;
877        margin-bottom:.0001pt;
878        mso-add-space:auto;
879        mso-pagination:widow-orphan;
880        font-size:12.0pt;
881        font-family:"Times New Roman",serif;
882        mso-fareast-font-family:"Times New Roman";
883        mso-fareast-theme-font:minor-fareast;}
884p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
885        {mso-style-noshow:yes;
886        mso-style-priority:34;
887        mso-style-unhide:no;
888        mso-style-qformat:yes;
889        mso-style-type:export-only;
890        margin-top:0in;
891        margin-right:0in;
892        margin-bottom:0in;
893        margin-left:.5in;
894        margin-bottom:.0001pt;
895        mso-add-space:auto;
896        mso-pagination:widow-orphan;
897        font-size:12.0pt;
898        font-family:"Times New Roman",serif;
899        mso-fareast-font-family:"Times New Roman";
900        mso-fareast-theme-font:minor-fareast;}
901p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
902        {mso-style-noshow:yes;
903        mso-style-priority:34;
904        mso-style-unhide:no;
905        mso-style-qformat:yes;
906        mso-style-type:export-only;
907        margin-top:0in;
908        margin-right:0in;
909        margin-bottom:0in;
910        margin-left:.5in;
911        margin-bottom:.0001pt;
912        mso-add-space:auto;
913        mso-pagination:widow-orphan;
914        font-size:12.0pt;
915        font-family:"Times New Roman",serif;
916        mso-fareast-font-family:"Times New Roman";
917        mso-fareast-theme-font:minor-fareast;}
918p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
919        {mso-style-noshow:yes;
920        mso-style-priority:34;
921        mso-style-unhide:no;
922        mso-style-qformat:yes;
923        mso-style-type:export-only;
924        margin-top:0in;
925        margin-right:0in;
926        margin-bottom:0in;
927        margin-left:.5in;
928        margin-bottom:.0001pt;
929        mso-add-space:auto;
930        mso-pagination:widow-orphan;
931        font-size:12.0pt;
932        font-family:"Times New Roman",serif;
933        mso-fareast-font-family:"Times New Roman";
934        mso-fareast-theme-font:minor-fareast;}
935span.MsoIntenseReference
936        {mso-style-priority:32;
937        mso-style-unhide:no;
938        mso-style-qformat:yes;
939        font-variant:small-caps;
940        color:#C0504D;
941        mso-themecolor:accent2;
942        letter-spacing:.25pt;
943        font-weight:bold;
944        text-decoration:underline;
945        text-underline:single;}
946span.Heading1Char
947        {mso-style-name:"Heading 1 Char";
948        mso-style-priority:9;
949        mso-style-unhide:no;
950        mso-style-locked:yes;
951        mso-style-link:"Heading 1";
952        mso-ansi-font-size:24.0pt;
953        mso-bidi-font-size:24.0pt;
954        font-family:"Times New Roman",serif;
955        mso-ascii-font-family:"Times New Roman";
956        mso-fareast-font-family:"Times New Roman";
957        mso-fareast-theme-font:minor-fareast;
958        mso-hansi-font-family:"Times New Roman";
959        mso-bidi-font-family:"Times New Roman";
960        mso-font-kerning:18.0pt;
961        font-weight:bold;}
962span.Heading2Char
963        {mso-style-name:"Heading 2 Char";
964        mso-style-noshow:yes;
965        mso-style-priority:9;
966        mso-style-unhide:no;
967        mso-style-locked:yes;
968        mso-style-link:"Heading 2";
969        mso-ansi-font-size:18.0pt;
970        mso-bidi-font-size:18.0pt;
971        font-family:"Times New Roman",serif;
972        mso-ascii-font-family:"Times New Roman";
973        mso-fareast-font-family:"Times New Roman";
974        mso-fareast-theme-font:minor-fareast;
975        mso-hansi-font-family:"Times New Roman";
976        mso-bidi-font-family:"Times New Roman";
977        font-weight:bold;}
978span.Heading3Char
979        {mso-style-name:"Heading 3 Char";
980        mso-style-noshow:yes;
981        mso-style-priority:9;
982        mso-style-unhide:no;
983        mso-style-locked:yes;
984        mso-style-link:"Heading 3";
985        mso-ansi-font-size:13.5pt;
986        mso-bidi-font-size:13.5pt;
987        font-family:"Times New Roman",serif;
988        mso-ascii-font-family:"Times New Roman";
989        mso-fareast-font-family:"Times New Roman";
990        mso-fareast-theme-font:minor-fareast;
991        mso-hansi-font-family:"Times New Roman";
992        mso-bidi-font-family:"Times New Roman";
993        font-weight:bold;}
994span.Heading4Char
995        {mso-style-name:"Heading 4 Char";
996        mso-style-noshow:yes;
997        mso-style-priority:9;
998        mso-style-unhide:no;
999        mso-style-locked:yes;
1000        mso-style-link:"Heading 4";
1001        mso-ansi-font-size:13.0pt;
1002        mso-bidi-font-size:13.0pt;
1003        font-family:"Cambria",serif;
1004        mso-ascii-font-family:Cambria;
1005        mso-ascii-theme-font:major-latin;
1006        mso-fareast-font-family:"Times New Roman";
1007        mso-fareast-theme-font:major-fareast;
1008        mso-hansi-font-family:Cambria;
1009        mso-hansi-theme-font:major-latin;
1010        mso-bidi-font-family:"Times New Roman";
1011        mso-bidi-theme-font:major-bidi;
1012        color:#4F81BD;
1013        mso-themecolor:accent1;
1014        font-weight:bold;
1015        font-style:italic;}
1016span.Heading5Char
1017        {mso-style-name:"Heading 5 Char";
1018        mso-style-noshow:yes;
1019        mso-style-priority:9;
1020        mso-style-unhide:no;
1021        mso-style-locked:yes;
1022        mso-style-link:"Heading 5";
1023        mso-ansi-font-size:12.0pt;
1024        mso-bidi-font-size:12.0pt;
1025        font-family:"Times New Roman",serif;
1026        mso-ascii-font-family:"Times New Roman";
1027        mso-fareast-font-family:"Times New Roman";
1028        mso-fareast-theme-font:minor-fareast;
1029        mso-hansi-font-family:"Times New Roman";
1030        mso-bidi-font-family:"Times New Roman";
1031        color:#4F4FFF;
1032        font-weight:bold;}
1033span.HTMLPreformattedChar
1034        {mso-style-name:"HTML Preformatted Char";
1035        mso-style-noshow:yes;
1036        mso-style-priority:99;
1037        mso-style-unhide:no;
1038        mso-style-locked:yes;
1039        mso-style-link:"HTML Preformatted";
1040        mso-ansi-font-size:10.0pt;
1041        mso-bidi-font-size:10.0pt;
1042        font-family:"Courier New";
1043        mso-ascii-font-family:"Courier New";
1044        mso-fareast-font-family:"Times New Roman";
1045        mso-hansi-font-family:"Courier New";
1046        mso-bidi-font-family:"Courier New";}
1047p.msonormal0, li.msonormal0, div.msonormal0
1048        {mso-style-name:msonormal;
1049        mso-style-noshow:yes;
1050        mso-style-priority:99;
1051        mso-style-unhide:no;
1052        mso-margin-top-alt:auto;
1053        margin-right:0in;
1054        mso-margin-bottom-alt:auto;
1055        margin-left:0in;
1056        mso-pagination:widow-orphan;
1057        font-size:12.0pt;
1058        font-family:"Times New Roman",serif;
1059        mso-fareast-font-family:"Times New Roman";
1060        mso-fareast-theme-font:minor-fareast;}
1061span.DocumentMapChar
1062        {mso-style-name:"Document Map Char";
1063        mso-style-noshow:yes;
1064        mso-style-priority:99;
1065        mso-style-unhide:no;
1066        mso-style-locked:yes;
1067        mso-style-link:"Document Map";
1068        mso-ansi-font-size:8.0pt;
1069        mso-bidi-font-size:8.0pt;
1070        font-family:"Tahoma",sans-serif;
1071        mso-ascii-font-family:Tahoma;
1072        mso-fareast-font-family:"Times New Roman";
1073        mso-fareast-theme-font:minor-fareast;
1074        mso-hansi-font-family:Tahoma;
1075        mso-bidi-font-family:Tahoma;}
1076span.BalloonTextChar
1077        {mso-style-name:"Balloon Text Char";
1078        mso-style-noshow:yes;
1079        mso-style-priority:99;
1080        mso-style-unhide:no;
1081        mso-style-locked:yes;
1082        mso-style-link:"Balloon Text";
1083        mso-ansi-font-size:8.0pt;
1084        mso-bidi-font-size:8.0pt;
1085        font-family:"Tahoma",sans-serif;
1086        mso-ascii-font-family:Tahoma;
1087        mso-fareast-font-family:"Times New Roman";
1088        mso-fareast-theme-font:minor-fareast;
1089        mso-hansi-font-family:Tahoma;
1090        mso-bidi-font-family:Tahoma;}
1091span.GSAS-IItextChar
1092        {mso-style-name:"GSAS-II text Char";
1093        mso-style-unhide:no;
1094        mso-style-locked:yes;
1095        mso-style-link:"GSAS-II text";
1096        mso-ansi-font-size:12.0pt;
1097        mso-bidi-font-size:12.0pt;
1098        font-family:"Times New Roman",serif;
1099        mso-ascii-font-family:"Times New Roman";
1100        mso-fareast-font-family:"Times New Roman";
1101        mso-fareast-theme-font:minor-fareast;
1102        mso-hansi-font-family:"Times New Roman";
1103        mso-bidi-font-family:Calibri;
1104        mso-bidi-theme-font:minor-latin;
1105        font-weight:bold;
1106        mso-bidi-font-weight:normal;}
1107p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1108        {mso-style-name:"GSAS-II text";
1109        mso-style-noshow:yes;
1110        mso-style-priority:99;
1111        mso-style-unhide:no;
1112        mso-style-link:"GSAS-II text Char";
1113        margin:0in;
1114        margin-bottom:.0001pt;
1115        mso-pagination:widow-orphan;
1116        font-size:12.0pt;
1117        font-family:"Calibri",sans-serif;
1118        mso-ascii-font-family:Calibri;
1119        mso-ascii-theme-font:minor-latin;
1120        mso-fareast-font-family:"Times New Roman";
1121        mso-fareast-theme-font:minor-fareast;
1122        mso-hansi-font-family:Calibri;
1123        mso-hansi-theme-font:minor-latin;
1124        mso-bidi-font-family:Calibri;
1125        mso-bidi-theme-font:minor-latin;
1126        font-weight:bold;
1127        mso-bidi-font-weight:normal;}
1128span.SpellE
1129        {mso-style-name:"";
1130        mso-spl-e:yes;}
1131span.GramE
1132        {mso-style-name:"";
1133        mso-gram-e:yes;}
1134.MsoChpDefault
1135        {mso-style-type:export-only;
1136        mso-default-props:yes;
1137        font-size:10.0pt;
1138        mso-ansi-font-size:10.0pt;
1139        mso-bidi-font-size:10.0pt;
1140        font-family:"Calibri",sans-serif;
1141        mso-ascii-font-family:Calibri;
1142        mso-ascii-theme-font:minor-latin;
1143        mso-fareast-font-family:Calibri;
1144        mso-fareast-theme-font:minor-latin;
1145        mso-hansi-font-family:Calibri;
1146        mso-hansi-theme-font:minor-latin;
1147        mso-bidi-font-family:"Times New Roman";
1148        mso-bidi-theme-font:minor-bidi;}
1149@page WordSection1
1150        {size:8.5in 11.0in;
1151        margin:1.0in 1.0in 1.0in 1.0in;
1152        mso-header-margin:.5in;
1153        mso-footer-margin:.5in;
1154        mso-paper-source:0;}
1155div.WordSection1
1156        {page:WordSection1;}
1157 /* List Definitions */
1158 @list l0
1159        {mso-list-id:15860155;
1160        mso-list-type:hybrid;
1161        mso-list-template-ids:234676978 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1162@list l0:level1
1163        {mso-level-tab-stop:none;
1164        mso-level-number-position:left;
1165        margin-left:.75in;
1166        text-indent:-.25in;}
1167@list l0:level2
1168        {mso-level-number-format:alpha-lower;
1169        mso-level-tab-stop:none;
1170        mso-level-number-position:left;
1171        margin-left:1.25in;
1172        text-indent:-.25in;}
1173@list l0:level3
1174        {mso-level-number-format:roman-lower;
1175        mso-level-tab-stop:none;
1176        mso-level-number-position:right;
1177        margin-left:1.75in;
1178        text-indent:-9.0pt;}
1179@list l0:level4
1180        {mso-level-tab-stop:none;
1181        mso-level-number-position:left;
1182        margin-left:2.25in;
1183        text-indent:-.25in;}
1184@list l0:level5
1185        {mso-level-number-format:alpha-lower;
1186        mso-level-tab-stop:none;
1187        mso-level-number-position:left;
1188        margin-left:2.75in;
1189        text-indent:-.25in;}
1190@list l0:level6
1191        {mso-level-number-format:roman-lower;
1192        mso-level-tab-stop:none;
1193        mso-level-number-position:right;
1194        margin-left:3.25in;
1195        text-indent:-9.0pt;}
1196@list l0:level7
1197        {mso-level-tab-stop:none;
1198        mso-level-number-position:left;
1199        margin-left:3.75in;
1200        text-indent:-.25in;}
1201@list l0:level8
1202        {mso-level-number-format:alpha-lower;
1203        mso-level-tab-stop:none;
1204        mso-level-number-position:left;
1205        margin-left:4.25in;
1206        text-indent:-.25in;}
1207@list l0:level9
1208        {mso-level-number-format:roman-lower;
1209        mso-level-tab-stop:none;
1210        mso-level-number-position:right;
1211        margin-left:4.75in;
1212        text-indent:-9.0pt;}
1213@list l1
1214        {mso-list-id:608973138;
1215        mso-list-type:hybrid;
1216        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1217@list l1:level1
1218        {mso-level-tab-stop:none;
1219        mso-level-number-position:left;
1220        margin-left:.25in;
1221        text-indent:-.25in;}
1222@list l1:level2
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1414
1415<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1416
1417<div class=WordSection1>
1418
1419<h1>Magnetic Structures in GSAS-II – I</h1>
1420
1421<h2>Introduction</h2>
1422
1423<p class=MsoNormal>In this and subsequent tutorials, we will show how GSAS-II
1424makes use of the Bilbao crystallographic server (<a
1425href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>) <i style='mso-bidi-font-style:
1426normal'>Magnetic Symmetry and Applications</i> routine k-SUBGROUPSMAG (<a
1427href="http://iopscience.iop.org/0953-8984/28/28/286001"><span style='font-size:
142810.0pt;font-family:"Arial",sans-serif;color:windowtext;text-decoration:none;
1429text-underline:none'>Perez-Mato, JM; <span class=SpellE>Gallego</span>, SV; <span
1430class=SpellE>Elcoro</span>, L; <span class=SpellE>Tasci</span>, E and <span
1431class=SpellE>Aroyo</span>, MI<br>
1432<i>J. of Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1433to determine magnetic crystal structures. If you have not done so already, you
1434may wish to do the Simple Magnetic Structures tutorial first as it contains
1435some background information that will not be covered here. To make this work,
1436your computer must have an internet connection for GSAS-II to access this site.
1437(We will supply the project file that results after k-SUBGROUPSMAG is called in
1438case you lack internet access)</p>
1439
1440<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1441
1442<p class=MsoNormal><span class=GramE>k-SUBGROUPSMAG</span> operates by starting
1443with the grey group for the parent chemical structure (e.g. Pnma1’) and any
1444propagation vector (k-vector) by removing symmetry operators to generate
1445magnetic space subgroups. The remaining operators in each case are identified
1446with a standard setting of the known magnetic BNS space groups (2<sup>nd</sup>
1447setting with inversion at the origin as needed). It generally doesn’t stop
1448until the lowest possible symmetry (triclinic) is reached; there can be more
1449than 100 of these possible subgroups. For each one, the magnetic space group
1450symbol, lattice transformation matrix and any required translation of the
1451original coordinates is returned in a table of the results. In GSAS-II, the
1452k-SUBGROUPSMAG web page is called with the parent chemical space group
1453operations, your selected k-vectors and some option flags. The returned web
1454page is parsed by GSAS-II to extract the generated magnetic space groups,
1455transformation matrices and origin shift vector. If the resulting space group
1456is orthorhombic, GSAS-II will by default transform the standard setting to a
1457setting where the unit cell axes orientation is preserved vs the chemical cell.
1458GSAS-II will also optionally examine the magnetic atom positions to determine
1459if any or all can carry a nonzero moment, flagging those space groups with
1460atoms that can. This simplifies the search for a correct description of the
1461magnetic structure.</p>
1462
1463<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1464
1465<p class=MsoNormal>To see how this works for a simple case, we will repeat the
1466first exercise in the <b style='mso-bidi-font-weight:normal'><span
1467style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1468mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Simple
1469Magnetic Structures in GSAS-II</span></b> tutorial in this tutorial, skipping
1470some steps as these are not needed. We will <span class=SpellE>redetermine</span>
1471the magnetic structure for the simple antiferromagnet LaMnO<sub>3</sub> which
1472is a perovskite distorted by a strong <span class=SpellE>Jahn</span>-Teller
1473effect to an orthorhombic cell. Neutron powder diffraction data was obtained on
1474BT-1 at the NIST reactor at 50K (thanks to Qingzhen Huang for providing the
1475data).</p>
1476
1477<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1478about the internet connection!).</p>
1479
1480<h2>Simple Antiferromagnet: LaMnO<sub>3</sub></h2>
1481
1482<h3>Step 1: Read in the data file</h3>
1483
1484<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1485text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1486style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1487style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1488the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1489mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1490minor-latin'>Import/Powder Data/from GSAS powder data file</span></b> menu item
1491to read the data file into the current GSAS-II project. This read option is set
1492to read any of the powder data formats defined for GSAS (angles in <span
1493class=SpellE>centidegrees</span>, TOF in µsec). Other submenu items will read
1494the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1495style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1496mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
1497format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1498style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1499mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
1500format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
1501style='mso-spacerun:yes'>  </span>In those cases, you would change the file
1502directory to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1503style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1504mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
1505format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1506style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1507mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
1508format (angles in degrees) used by <span class=SpellE>Topas</span>, etc. to see
1509them. Because you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1510minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
1511style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1512mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1513minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
1514Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
1515downloaded the exercise files (recommended), then the </span><b
1516style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1517mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1518minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-I/data/...</span></b><span
1519style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1520entry will bring you to the location where the files have been downloaded. (It
1521is also possible to download them manually from <a
1522href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/</a>.
1523In this case you will need to navigate to the download location manually.)<br>
1524For this tutorial you should see the data file in the file browser, but if
1525extensions on data files are not the expected ones, you may need to change the
1526file type to </span><b style='mso-bidi-font-weight:normal'><span
1527style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1528mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1529minor-latin;mso-bidi-theme-font:minor-latin'>All files (*.*)</span></b><span
1530style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'> to
1531find the desired file.</span></p>
1532
1533<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1534auto;text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1535style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1536style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1537the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1538mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1539minor-latin'>CaMnO3_50K.gsas</span></b><span style='font-family:"Calibri",sans-serif;
1540mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1541minor-latin'> data</span> file in the first dialog and press <b
1542style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1543mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1544minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1545class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1546"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1547minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1548style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1549mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1550minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1551style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1552mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1553minor-latin'>Yes</span></b></span> button to proceed.</p>
1554
1555<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1556text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1557style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1558style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1559this data file does not define an instrument parameter file, a file dialog will
1560appear for you to select the correct instrument parameter file. Select <b
1561style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1562mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1563minor-latin'>BT1_Cu300.inst</span></b>; you may have to change the file type in
1564the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1565style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1566mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1567class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1568style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1569mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1570minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
1571
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1590 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1591 <o:lock v:ext="edit" aspectratio="t"/>
1592</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1063" type="#_x0000_t75"
1593 style='width:319.5pt;height:216.75pt;visibility:visible;mso-wrap-style:square'>
1594 <v:imagedata src="Magnetic%20Structures-I_files/image001.png" o:title=""/>
1595</v:shape><![endif]--><![if !vml]><img border=0 width=426 height=289
1596src="Magnetic%20Structures-I_files/image002.gif" v:shapes="Picture_x0020_1"><![endif]></span></h2>
1597
1598<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
1599powder pattern</p>
1600
1601<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1602 id="Picture_x0020_2" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:5in;
1603 height:368.25pt;visibility:visible;mso-wrap-style:square'>
1604 <v:imagedata src="Magnetic%20Structures-I_files/image004.png" o:title=""/>
1605</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
1606src="Magnetic%20Structures-I_files/image006.gif" v:shapes="Picture_x0020_2"><![endif]></span></p>
1607
1608<h3>Step 2: Select Limits </h3>
1609
1610<p class=MsoNormal><span style='mso-spacerun:yes'> </span>This pattern has more
1611data than we need, so it is helpful to cut down the range and one probably
1612doesn’t want to use the two very broad peaks at the upper end of the pattern as
1613they don’t contain much information for the magnetic structure. One also should
1614be careful in selecting the lower limit especially for magnetic structure
1615studies as a small peak may be hidden at low angles that can decisively
1616determine a magnetic structure (there are none in this example, but this issue
1617will be apparent in the next example). Click on the <b style='mso-bidi-font-weight:
1618normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1619minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Limits</span></b>
1620item in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1621"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
1622data tree</span></b>. Use the <b style='mso-bidi-font-weight:normal'><span
1623style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1624mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>New:</span></b>
1625set of entry boxes to set <span class=SpellE><b style='mso-bidi-font-weight:
1626normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1627minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmin</span></b></span>
1628and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1629style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1630mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b></span>
1631to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1632mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6 </span></b>and
1633<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1634mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1635minor-latin'>156</span></b>. Notice on the plot that the limit lines have moved
1636to these positions; the green lower limit is just below the 1<sup>st</sup> peak
1637and the red upper limit is just below that last two broad peaks. You may also
1638drag the limit lines to the desired location or place them by a left mouse
1639click on a data point for the lower limit or a right click on a data point for
1640the upper limit. The plot should look like</p>
1641
1642<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1643 id="Picture_x0020_3" o:spid="_x0000_i1061" type="#_x0000_t75" style='width:358.5pt;
1644 height:367.5pt;visibility:visible;mso-wrap-style:square'>
1645 <v:imagedata src="Magnetic%20Structures-I_files/image008.png" o:title=""/>
1646</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=490
1647src="Magnetic%20Structures-I_files/image010.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1648
1649<h3>Step 3: Read in the chemical structure for LaMnO<sub>3</sub></h3>
1650
1651<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1652text-indent:-.25in;mso-list:l2 level1 lfo4'><![if !supportLists]><span
1653style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1654style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1655the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1656mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1657minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1658information for LaMnO<sub>3</sub> into the current GSAS-II project. This read
1659option is set to read Crystallographic Information Files (CIF). Other submenu
1660items will read phase information in other formats.<span
1661style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
1662Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1663normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1664minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1665mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1666style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1667menu entry to open this page and downloaded the exercise files (recommended),
1668then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1669"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1670Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-I/data/...</span></b><span
1671style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1672entry will bring you to the location where the files have been downloaded. (It
1673is also possible to download them manually from <a
1674href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/</a>.
1675In this case you will need to navigate to the download location manually.)</span></p>
1676
1677<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1678auto;text-indent:-.25in;mso-list:l2 level1 lfo4'><![if !supportLists]><span
1679style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1680style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1681the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1682mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1683minor-latin'>LaMnO3.cif</span></b><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'> data</span> file in the first dialog and press <b
1686style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1687mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1688minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1689class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1690"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1691minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1692style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1693mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1694minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1695style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1696mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1697minor-latin'>Yes</span></b></span> button to proceed. You will get the
1698opportunity to change the phase name next (I took out the spaces!); press <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'>OK</span></b> to continue.</p>
1702
1703<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1704auto;text-indent:-.25in;mso-list:l2 level1 lfo4'><![if !supportLists]><span
1705style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1706style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1707is the histogram selection window; this connects the phase to the data so it
1708can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span></p>
1709
1710<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1711auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
1712 o:spid="_x0000_i1060" type="#_x0000_t75" style='width:283.5pt;height:227.25pt;
1713 visibility:visible;mso-wrap-style:square'>
1714 <v:imagedata src="Magnetic%20Structures-I_files/image012.png" o:title=""/>
1715</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=303
1716src="Magnetic%20Structures-I_files/image014.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1717
1718<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>Select
1719the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1720style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1721mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1722and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1723mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1724minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
1725<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5"
1726 o:spid="_x0000_i1059" type="#_x0000_t75" style='width:343.5pt;height:219pt;
1727 visibility:visible;mso-wrap-style:square'>
1728 <v:imagedata src="Magnetic%20Structures-I_files/image015.png" o:title=""/>
1729</v:shape><![endif]--><![if !vml]><img border=0 width=458 height=292
1730src="Magnetic%20Structures-I_files/image016.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1731
1732<h3>Step 4. Check powder pattern indexing</h3>
1733
1734<p class=MsoNormal>Here the objective is to determine how the reflection
1735positions generated from the chemical (“nuclear”) crystal structure lattice match
1736up with the peaks observed for this antiferromagnet. </p>
1737
1738<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1739text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
1740style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1741style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1742<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1743mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1744minor-latin'>Unit Cells List</span></b> from the tree entries under the
1745histogram (begins with PWDR); the Indexing controls will be shown<br>
1746<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1747 o:spid="_x0000_i1058" type="#_x0000_t75" style='width:348.75pt;height:125.25pt;
1748 visibility:visible;mso-wrap-style:square'>
1749 <v:imagedata src="Magnetic%20Structures-I_files/image011.png" o:title=""/>
1750</v:shape><![endif]--><![if !vml]><img border=0 width=465 height=167
1751src="Magnetic%20Structures-I_files/image017.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1752
1753<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1754auto'>This can be use lattice parameters &amp; space groups to generate
1755expected reflection positions to check against the peaks in the powder pattern.
1756</p>
1757
1758<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1759auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
1760style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1761style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>One
1762could then enter <span class=SpellE>Bravais</span> lattice, choose space group
1763&amp; enter lattice parameters by hand, but the easy way is to use the chemical
1764lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1765style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1766mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1767Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1768appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1769style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1770mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3</span></b>).
1771This was taken from the Phases present in this project; there could be more
1772than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1773normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1774minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1775menu item allows you to get lattice information from any one of the other phase
1776containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1777style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1778mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1779and the Indexing controls will be change<br>
1780<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1781 o:spid="_x0000_i1057" type="#_x0000_t75" style='width:342pt;height:122.25pt;
1782 visibility:visible;mso-wrap-style:square'>
1783 <v:imagedata src="Magnetic%20Structures-I_files/image018.png" o:title=""/>
1784</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=163
1785src="Magnetic%20Structures-I_files/image020.gif" v:shapes="Picture_x0020_7"><![endif]></span><br>
1786showing the lattice constants for LaMnO<sub>3</sub> you had obtained from the <span
1787class=SpellE>cif</span> file and the powder pattern will change showing the
1788lines for P n m a and the LaMnO<sub>3</sub> lattice parameters. Change the
1789space group to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1790"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1791minor-latin;mso-bidi-theme-font:minor-latin'>P m <span class=SpellE>m</span> <span
1792class=SpellE>m</span></span></b>; the plot will change showing the new lines.</p>
1793
1794<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'><span
1795style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1796 o:spid="_x0000_i1056" type="#_x0000_t75" style='width:342pt;height:279.75pt;
1797 visibility:visible;mso-wrap-style:square'>
1798 <v:imagedata src="Magnetic%20Structures-I_files/image028.png" o:title=""/>
1799</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=373
1800src="Magnetic%20Structures-I_files/image037.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1801
1802<p class=MsoNormal>Notice that every peak is indexed by this cell, therefore
1803the magnetic lattice is the same as the chemical cell. It just has some magnetically
1804allowed reflections that were forbidden in the space group P n m a. No doubling
1805of the unit cell along any axes is needed, this makes the magnetic propagation
1806vector, <span class=SpellE>kx</span> <span class=SpellE>ky</span> <span
1807class=SpellE>kz</span> = 0<span class=GramE>,0,0</span>; this will be needed in
1808the next step. Now change the space group back to <b style='mso-bidi-font-weight:
1809normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1810minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P
1811m n a</span></b> (<b style='mso-bidi-font-weight:normal'>VERY IMPORTANT!) </b>or
1812else repeat the<b style='mso-bidi-font-weight:normal'> </b><b style='mso-bidi-font-weight:
1813normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1814minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1815Index/Refine/Load Cell </span></b>done in step 2 above to recover the LaMnO<sub>3</sub>
1816data.</p>
1817
1818<h3>Step 5. Run k-SUBGROUPSMAG</h3>
1819
1820<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1821crystallographic server so you must be connected to the internet. In the Cell
1822Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1823style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1824mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1825k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1826
1827<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1828 id="_x0000_i1055" type="#_x0000_t75" style='width:182.25pt;height:299.25pt;
1829 visibility:visible;mso-wrap-style:square'>
1830 <v:imagedata src="Magnetic%20Structures-I_files/image041.png" o:title=""/>
1831</v:shape><![endif]--><![if !vml]><img border=0 width=243 height=399
1832src="Magnetic%20Structures-I_files/image043.gif" v:shapes="_x0000_i1055"><![endif]></span></p>
1833
1834<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1835space group is taken from the Space Group entry on the Unit Cells window. Since
1836we did not discover any cell doubling, leave the <span class=SpellE>kx</span> <span
1837class=SpellE><span class=GramE>ky</span></span> <span class=SpellE>kz</span>
1838entries as they are. Do select <span class=SpellE><b style='mso-bidi-font-weight:
1839normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1840minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
1841from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1842mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1843minor-latin'>test for mag. atoms</span></b> pulldown as that will restrict the
1844models to those with a nonzero magnetic moment on the <span class=SpellE>Mn</span>
1845atoms. We will discuss the other options in another tutorial. Press <b
1846style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1847mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1848minor-latin'>Ok</span></b>. A popup dialog will appear reminding you how to
1849cite the Bilbao routine in any paper you write using this facility.</p>
1850
1851<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1852 id="Picture_x0020_16" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:357.75pt;
1853 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1854 <v:imagedata src="Magnetic%20Structures-I_files/image032.png" o:title=""/>
1855</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1856src="Magnetic%20Structures-I_files/image047.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1857
1858<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1859style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1860mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1861the nag note will also appear on the console and after a pause, the console
1862will show “request OK” indicating that the Bilbao site has responded with some
1863results. GSAS-II will next display a File Dialog asking for a project name to
1864save this project; change the directory to a useful place for your work on this
1865tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1866normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1867minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3
1868base.<o:p></o:p></span></b></p>
1869
1870<p class=MsoNormal>The GSAS-II data window will display the results from
1871k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1872this file is located in the same location as the powder data and <span
1873class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1874normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1875minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1876Project</span></b> from the main menu to access it “<b style='mso-bidi-font-weight:
1877normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1878minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3
1879<span class=SpellE>base.gpx</span></span></b>”).</p>
1880
1881<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1882 id="_x0000_i1053" type="#_x0000_t75" style='width:5in;height:212.25pt;
1883 visibility:visible;mso-wrap-style:square'>
1884 <v:imagedata src="Magnetic%20Structures-I_files/image051.png" o:title=""/>
1885</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=283
1886src="Magnetic%20Structures-I_files/image055.gif" v:shapes="_x0000_i1053"><![endif]></span></p>
1887
1888<p class=MsoNormal>The table shows all the magnetic space groups that are
1889possible starting with P n m <span class=GramE>a and</span> zero propagation
1890vector; this is noted in the table heading. Notice that it goes all the way to
1891a triclinic P1 magnetic space group; you probably will never need to go that
1892far to find a suitable magnetic space group. The ones marked ‘Keep’ have a
1893possibly magnetic <span class=SpellE>Mn</span> atom based on the magnetic site
1894symmetries of the transformed atom positions (there may be more than one). The <span
1895class=SpellE>Uniq</span> column indicates how many unique <span class=SpellE>Mn</span>
1896atoms are present in the magnetic structure; usually one wants to select one
1897with the smallest number of magnetic sites. Each entry also shows the
1898transformation matrix in symbolic form and the necessary origin shift so that
1899the new structure is properly positioned to satisfy the new space group. The
1900orthorhombic ones (1-18) are all transformed so the cell matches the parent;
1901this is the default action. K-SUBGROUPSMAG returned these in the standard
1902orthorhombic setting; GSAS-II reset these to match the parent. The <b
1903style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1904mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1905minor-latin'>Try</span></b> box is for you to test the reflection indexing of
1906each structure to be sure all the magnetic peaks are included. Try each of the
1907first 3 that are marked Keep (you may recognize these from the Simple Magnetic
1908tutorial). As you select each one the powder pattern will be replotted showing
1909the allowed lines. For the 2<sup>nd</sup> <span class=GramE>one ,</span> <span
1910class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1911"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1912minor-latin;mso-bidi-theme-font:minor-latin'>Pn’ma</span></b></span><b
1913style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1914mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1915minor-latin'>’</span></b>, the plot shows all lines indexed (apart from the
1916contaminant peak at 15.69°2&#920;).</p>
1917
1918<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1919 id="Picture_x0020_47" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:359.25pt;
1920 height:367.5pt;visibility:visible;mso-wrap-style:square'>
1921 <v:imagedata src="Magnetic%20Structures-I_files/image049.png" o:title=""/>
1922</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=490
1923src="Magnetic%20Structures-I_files/image059.gif" v:shapes="Picture_x0020_47"><![endif]></span></p>
1924
1925<p class=MsoNormal>I’ve zoomed in on the low angle region for clarity. If you <span
1926class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1927"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1928minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b></span> the <span
1929class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1930"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1931minor-latin;mso-bidi-theme-font:minor-latin'>Pnma</span></b></span> one as
1932well, it will index all the lines (even showing two that straddle the
1933contaminant line). You can then <span class=SpellE><span class=GramE>un”</span><b
1934style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1935mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1936minor-latin'>Keep</span></b></span>” the other choices so they don’t appear in
1937a later step where you select the magnetic phase. Now do a <b style='mso-bidi-font-weight:
1938normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1939minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save
1940project</span></b>; that will save your choices for later (there should be at
1941least two).</p>
1942
1943<h3>Step 6. Select a magnetic phase</h3>
1944
1945<p class=MsoNormal>In the previous step we discovered two possible highest
1946symmetry magnetic structures that both indexed all the reflections in the
1947powder pattern (in one case even the contaminant line) and allowed the <span
1948class=SpellE>Mn</span> atom sites to have magnetic moments. We will see those
1949next. Select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1950"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1951minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3</span></b> phase from the
1952GSAS-II data tree (under Phases). The General tab is shown for this nuclear
1953phase.</p>
1954
1955<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1956 id="Picture_x0020_48" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:5in;
1957 height:217.5pt;visibility:visible;mso-wrap-style:square'>
1958 <v:imagedata src="Magnetic%20Structures-I_files/image053.png" o:title=""/>
1959</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=290
1960src="Magnetic%20Structures-I_files/image063.gif" v:shapes="Picture_x0020_48"><![endif]></span></p>
1961
1962<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1963style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1964mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1965magnetic phase</span></b>; that will make a small popup dialog</p>
1966
1967<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1968 id="Picture_x0020_49" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:207.75pt;
1969 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1970 <v:imagedata src="Magnetic%20Structures-I_files/image057.png" o:title=""/>
1971</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=297
1972src="Magnetic%20Structures-I_files/image065.gif" v:shapes="Picture_x0020_49"><![endif]></span></p>
1973
1974<p class=MsoNormal>This shows all magnetic phases that were marked Keep in the
1975Unit Cells; for each you see the transformation and vector (occasionally two
1976results will have the same space group but are different). Select the 1<sup>st</sup>
1977one and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
1978"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1979minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>; a new popup dialog
1980will appear.</p>
1981
1982<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1983 id="Picture_x0020_50" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:262.5pt;
1984 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1985 <v:imagedata src="Magnetic%20Structures-I_files/image061.png" o:title=""/>
1986</v:shape><![endif]--><![if !vml]><img border=0 width=350 height=123
1987src="Magnetic%20Structures-I_files/image069.gif" v:shapes="Picture_x0020_50"><![endif]></span></p>
1988
1989<p class=MsoNormal>This shows the magnetic atoms in this structure and allows
1990one to reject certain ones that are known to not be magnetic. If you press
1991Delete then this space group will be unmarked Keep in the Unit Cell List and
1992will not be available for a future selection. If you select No then nothing
1993will happen and you can find this space group in a subsequent try of Select
1994magnetic phase. This space group is the desired one; press <span class=GramE><b
1995style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1996mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1997minor-latin'>Yes</span></b></span> to select it. The project will be saved
1998first, then a File Dialog box will appear offering a new project file name (<b
1999style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2000mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2001minor-latin'>LaMnO3 mag_2.gpx</span></b>) for saving the project and renaming
2002it. It will be in the same directory as the original one (LaMnO3 <span
2003class=SpellE>base.gpx</span>). Press <b style='mso-bidi-font-weight:normal'><span
2004style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2005mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>;
2006the new project will be opened to the General tab for magnetic phase just
2007created.</p>
2008
2009<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2010 id="Picture_x0020_17" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:357pt;
2011 height:232.5pt;visibility:visible;mso-wrap-style:square'>
2012 <v:imagedata src="Magnetic%20Structures-I_files/image042.png" o:title=""/>
2013</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=310
2014src="Magnetic%20Structures-I_files/image071.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
2015
2016<p class=MsoNormal>The phase is named with “mag_2” appended to the end, the
2017phase type is magnetic and there are magnetic spin operator selections part way
2018down the page. These are properly set for the chosen magnetic space group <span
2019class=SpellE>Pn’ma</span>’ as “red”<span class=GramE>, ”</span>black”, ”red”.
2020You also can see the <span class=SpellE>Lande</span>’ g factor can be changed
2021if needed and it only contains the <span class=SpellE>Mn</span> atom. Notice
2022that the base project is unchanged (and closed) in this process. That allows
2023you to go back to it to try another magnetic phase if necessary (in this case
2024the <span class=SpellE>Pnma</span> phase). Also note that the k-SUBGROUPSMAG
2025results table has been deleted from the Unit Cells List; this keeps you from
2026inadvertently making a second magnetic phase in this project that would clash
2027with the first one. Now, let’s explore the <span class=SpellE>Pn’ma</span>’
2028magnetic structure.</p>
2029
2030<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2031
2032<h3>Step 7. Solving the magnetic structure</h3>
2033
2034<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l3 level1 lfo8'><![if !supportLists]><span
2035style='mso-fareast-font-family:Cambria;mso-fareast-theme-font:major-latin;
2036mso-bidi-font-family:Cambria;mso-bidi-theme-font:major-latin'><span
2037style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
2038</span></span></span><![endif]>Test the <span class=SpellE>Pn’ma</span>’ model</h4>
2039
2040<p class=MsoNormal>So now we have a spin arrangement to consider, <span
2041class=SpellE>Pn’ma</span>’, but we do not know the magnetic moment components, <span
2042class=SpellE>Mx</span>, My &amp; <span class=SpellE>Mz</span>. However, since
2043the 1<sup>st </sup>reflection (the 010) is magnetic and strong, it is likely
2044that the value of <span class=GramE>My=</span>0. We can force this (to avoid
2045refinement problems) by making a ‘hold’ on its value. Select the <b
2046style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2047mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2048minor-latin'>Constraints</span></b> item from the GSAS-II tree; it will show
2049the constraints generated when the magnetic phase was made</p>
2050
2051<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2052
2053<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2054 id="Picture_x0020_51" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:361.5pt;
2055 height:166.5pt;visibility:visible;mso-wrap-style:square'>
2056 <v:imagedata src="Magnetic%20Structures-I_files/image067.png" o:title=""/>
2057</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=222
2058src="Magnetic%20Structures-I_files/image073.gif" v:shapes="Picture_x0020_51"><![endif]></span></p>
2059
2060<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
2061style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2062mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit <span
2063class=SpellE>Costr</span>.</span></b> <span class=GramE>menu</span> item do <b
2064style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2065mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2066minor-latin'>Add hold</span></b>; a Hold phase variable window will appear</p>
2067
2068<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2069 id="Picture_x0020_19" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:361.5pt;
2070 height:175.5pt;visibility:visible;mso-wrap-style:square'>
2071 <v:imagedata src="Magnetic%20Structures-I_files/image046.png" o:title=""/>
2072</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=234
2073src="Magnetic%20Structures-I_files/image077.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
2074
2075<p class=MsoNormal>This can be simplified by putting <span class=GramE>My</span>
2076in the Name Filter box</p>
2077
2078<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2079 id="Picture_x0020_20" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:361.5pt;
2080 height:175.5pt;visibility:visible;mso-wrap-style:square'>
2081 <v:imagedata src="Magnetic%20Structures-I_files/image048.png" o:title=""/>
2082</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=234
2083src="Magnetic%20Structures-I_files/image079.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
2084
2085<p class=MsoNormal>Select the entry and press OK; the constraint window will
2086show the Hold at the bottom of the list.</p>
2087
2088<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2089 id="Picture_x0020_52" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:5in;
2090 height:165.75pt;visibility:visible;mso-wrap-style:square'>
2091 <v:imagedata src="Magnetic%20Structures-I_files/image075.png" o:title=""/>
2092</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=221
2093src="Magnetic%20Structures-I_files/image081.gif" v:shapes="Picture_x0020_52"><![endif]></span></p>
2094
2095<p class=MsoNormal>Now return to phases and select <b style='mso-bidi-font-weight:
2096normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2097minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La
2098<span class=SpellE>Mn</span> O3 mag_2</span></b> and the <b style='mso-bidi-font-weight:
2099normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2100minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2101tab; you should see</p>
2102
2103<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2104 id="Picture_x0020_22" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:361.5pt;
2105 height:80.25pt;visibility:visible;mso-wrap-style:square'>
2106 <v:imagedata src="Magnetic%20Structures-I_files/image052.png" o:title=""/>
2107</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=107
2108src="Magnetic%20Structures-I_files/image083.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
2109
2110<p class=MsoNormal>The least squares will not begin a refinement of <span
2111class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span> starting from zero
2112since either +/- values are equally possible; the result will be a singularity.
2113So these values must be offset so set them to <b style='mso-bidi-font-weight:
2114normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2115minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
2116each. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2117mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2118minor-latin'>Calculate/Refine</span></b>; the refinement will quickly converge
2119to <span class=SpellE>Rwp</span> ~14% and the powder plot will look like</p>
2120
2121<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2122 id="Picture_x0020_23" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:360.75pt;
2123 height:294pt;visibility:visible;mso-wrap-style:square'>
2124 <v:imagedata src="Magnetic%20Structures-I_files/image054.png" o:title=""/>
2125</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=392
2126src="Magnetic%20Structures-I_files/image085.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
2127
2128<p class=MsoNormal>There does not appear to be any calculated magnetic
2129intensity, but a zoom onto the low angle (10-30°2&#920;) part of the pattern shows
2130that some intensity was obtained, but clearly not enough.</p>
2131
2132<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2133 id="Picture_x0020_24" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:359.25pt;
2134 height:293.25pt;visibility:visible;mso-wrap-style:square'>
2135 <v:imagedata src="Magnetic%20Structures-I_files/image056.png" o:title=""/>
2136</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=391
2137src="Magnetic%20Structures-I_files/image087.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
2138
2139<p class=MsoNormal>The magnetic moment is clearly too small; to let the least
2140squares find a better value set the refine flag for <span class=SpellE>Mn</span>
2141to ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2142mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2143minor-latin'>M</span></b>’ and repeat <b style='mso-bidi-font-weight:normal'><span
2144style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2145mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2146The residual will drop considerably to <span class=SpellE>Rwp</span> ~8.7% and
2147the low angle portion will show a much better fit.</p>
2148
2149<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2150 id="Picture_x0020_25" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:361.5pt;
2151 height:294.75pt;visibility:visible;mso-wrap-style:square'>
2152 <v:imagedata src="Magnetic%20Structures-I_files/image058.png" o:title=""/>
2153</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=393
2154src="Magnetic%20Structures-I_files/image101.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
2155
2156<p class=MsoNormal>This appears to be a reasonable solution; a more complete
2157refinement still needs to be done, we’ll do that in the next step after we test
2158the <span class=SpellE>Pnma</span> model. <b style='mso-bidi-font-weight:normal'><span
2159style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2160mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
2161the project.</p>
2162
2163<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l3 level1 lfo8'><![if !supportLists]><span
2164style='mso-fareast-font-family:Cambria;mso-fareast-theme-font:major-latin;
2165mso-bidi-font-family:Cambria;mso-bidi-theme-font:major-latin'><span
2166style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
2167</span></span></span><![endif]>Test the <span class=SpellE>Pnma</span> model</h4>
2168
2169<p class=MsoNormal>Now reopen the original <b style='mso-bidi-font-weight:normal'><span
2170style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2171mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3 <span
2172class=SpellE>base.gpx</span></span></b> file saved at Step 5 above. Select <b
2173style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2174mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2175minor-latin'>La <span class=SpellE>Mn</span> O3</span></b> phase from the
2176GSAS-II tree; the General tab will be shown</p>
2177
2178<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2179 id="Picture_x0020_26" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:5in;
2180 height:204.75pt;visibility:visible;mso-wrap-style:square'>
2181 <v:imagedata src="Magnetic%20Structures-I_files/image060.png" o:title=""/>
2182</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=273
2183src="Magnetic%20Structures-I_files/image102.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
2184
2185<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2186style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2187mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2188magnetic phase</span></b>; the magnetic phase selection box will show again</p>
2189
2190<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2191 id="Picture_x0020_54" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:207.75pt;
2192 height:222.75pt;visibility:visible;mso-wrap-style:square'>
2193 <v:imagedata src="Magnetic%20Structures-I_files/image057.png" o:title=""/>
2194</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=297
2195src="Magnetic%20Structures-I_files/image065.gif" v:shapes="Picture_x0020_54"><![endif]></span></p>
2196
2197<p class=MsoNormal>This time select the second choice “<b style='mso-bidi-font-weight:
2198normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2199minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>(8)
2200<span class=SpellE>Pnma</span>; (<span class=SpellE>a<span class=GramE>,b,c</span></span>)
2201+ (0,0,0)</span></b>” and press <b style='mso-bidi-font-weight:normal'><span
2202style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2203mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
2204A new popup dialog will appear</p>
2205
2206<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2207 id="Picture_x0020_55" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:262.5pt;
2208 height:92.25pt;visibility:visible;mso-wrap-style:square'>
2209 <v:imagedata src="Magnetic%20Structures-I_files/image115.png" o:title=""/>
2210</v:shape><![endif]--><![if !vml]><img border=0 width=350 height=123
2211src="Magnetic%20Structures-I_files/image103.gif" v:shapes="Picture_x0020_55"><![endif]></span></p>
2212
2213<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2214style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2215mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>
2216to select this choice; a File dialog will appear with a new project name for
2217this magnet model (<b style='mso-bidi-font-weight:normal'><span
2218style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2219mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3
2220mag_8.gpx</span></b>). Press <b style='mso-bidi-font-weight:normal'><span
2221style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2222mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
2223to select it; the projects will be exchanged opening the new magnetic one
2224showing the <span class=SpellE>Pnma</span> magnetic phase</p>
2225
2226<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2227 id="Picture_x0020_30" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363pt;
2228 height:233.25pt;visibility:visible;mso-wrap-style:square'>
2229 <v:imagedata src="Magnetic%20Structures-I_files/image064.png" o:title=""/>
2230</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=311
2231src="Magnetic%20Structures-I_files/image104.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
2232
2233<p class=MsoNormal>This time all the spin operators are “black”. Select the
2234Atoms tab</p>
2235
2236<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2237 id="Picture_x0020_33" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:5in;
2238 height:88.5pt;visibility:visible;mso-wrap-style:square'>
2239 <v:imagedata src="Magnetic%20Structures-I_files/image066.png" o:title=""/>
2240</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=118
2241src="Magnetic%20Structures-I_files/image105.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
2242
2243<p class=MsoNormal>Again, one can make the same argument that since the 010
2244reflection is large then <span class=GramE>My</span> should be zero. Set <span
2245class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2246"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2247minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span> &amp; <span
2248class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2249"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2250minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span> to 1.0 and
2251then go to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2252"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2253minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b> and set the
2254hold on <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2255mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2256minor-latin'>1:<span class=GramE>:AMy:0</span></span></b>. Do <b
2257style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2258mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2259minor-latin'>Calculate/Refine</span></b> from the main menu to do a Rietveld
2260refinement. It converges to <span class=SpellE>Rwp</span> ~14%; about the same
2261as the <span class=SpellE>Pn’ma</span>’ model at the same step. The low angle
2262portion of the powder pattern shows</p>
2263
2264<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2265 id="Picture_x0020_34" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:358.5pt;
2266 height:292.5pt;visibility:visible;mso-wrap-style:square'>
2267 <v:imagedata src="Magnetic%20Structures-I_files/image068.png" o:title=""/>
2268</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=390
2269src="Magnetic%20Structures-I_files/image106.gif" v:shapes="Picture_x0020_34"><![endif]></span></p>
2270
2271<p class=MsoNormal>There is intensity in the lowest angle reflection (the 010)
2272but not enough. Again we’ll try to refine the <span class=SpellE>Mx</span>
2273&amp; <span class=SpellE>Mz</span> components to see what happens. Set the
2274refine flag for <span class=SpellE>Mn</span> to ‘<b style='mso-bidi-font-weight:
2275normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2276minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’
2277and repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:
2278"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2279minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>. The
2280residual will drop to <span class=SpellE>Rwp</span> ~10% and the low angle
2281portion will show a much better fit which is very similar, but slightly poorer
2282than the result from the <span class=SpellE>Pn’ma</span>’ model. To see how,
2283examine a slightly higher angle region (30-55°2&#920;) and compare it with the
2284same region for the plot for the <span class=SpellE>Pn’ma</span>’ model (you’ll
2285need2 instances of GSAS-II running to do this)</p>
2286
2287<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2288 id="Picture_x0020_37" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:5in;
2289 height:123pt;visibility:visible;mso-wrap-style:square'>
2290 <v:imagedata src="Magnetic%20Structures-I_files/image070.png" o:title=""/>
2291</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=164
2292src="Magnetic%20Structures-I_files/image107.gif" v:shapes="Picture_x0020_37"><![endif]></span></p>
2293
2294<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2295 id="Picture_x0020_38" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:358.5pt;
2296 height:114pt;visibility:visible;mso-wrap-style:square'>
2297 <v:imagedata src="Magnetic%20Structures-I_files/image072.png" o:title=""/>
2298</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=152
2299src="Magnetic%20Structures-I_files/image108.gif" v:shapes="Picture_x0020_38"><![endif]></span></p>
2300
2301<p class=MsoNormal>You can see in particular at the pair of peaks at 33.3 and
230234.4°2&#920; that are well fit by the <span class=SpellE>Pn’ma</span>’ model
2303and not by the <span class=SpellE>Pnma</span> one. On this basis the <span
2304class=SpellE>Pnma</span> model is rejected and the <span class=SpellE>Pn’ma</span>’
2305is selected as probably correct. NB: neither model produced any intensity for
2306the peak at ~15.69°2&#920;, so it is most likely to be from a minor
2307contaminating phase; we can either ignore it or exclude it in the final
2308refinements.</p>
2309
2310<h3>Step 8. Complete refinement of the <span class=SpellE>Pn’ma</span>’ model
2311for LaMnO<sub>3</sub></h3>
2312
2313<p class=MsoNormal>Reload the <b style='mso-bidi-font-weight:normal'><span
2314style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2315mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La <span
2316class=SpellE>Mn</span> O3 mag_2.gpx</span></b> project file which should have
2317the <span class=SpellE>Pn’ma</span>’ model for the magnetic structure, and look
2318at the powder pattern to decide how to proceed to complete the refinement.</p>
2319
2320<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2321 id="Picture_x0020_39" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;
2322 height:282.75pt;visibility:visible;mso-wrap-style:square'>
2323 <v:imagedata src="Magnetic%20Structures-I_files/image074.png" o:title=""/>
2324</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=377
2325src="Magnetic%20Structures-I_files/image109.gif" v:shapes="Picture_x0020_39"><![endif]></span></p>
2326
2327<p class=MsoNormal>Looking at the plot, it would seem that the lattice
2328parameters and sample position need to be refined. It is important to remember
2329that if a parameter in one phase is varied then the corresponding one in the
2330other phase must also be varied, otherwise GSAS-II will report the error and
2331refuse to attempt the refinement. To set refinement of the lattice parameters,
2332bring up the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2333"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2334minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> tab for each
2335phase &amp; check the <b style='mso-bidi-font-weight:normal'><span
2336style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2337mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
2338cell</span></b> box for the lattice parameters. Then select <b
2339style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2340mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2341minor-latin'>Sample Parameters</span></b> for the PWDR entry</p>
2342
2343<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2344 id="Picture_x0020_40" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:358.5pt;
2345 height:225.75pt;visibility:visible;mso-wrap-style:square'>
2346 <v:imagedata src="Magnetic%20Structures-I_files/image076.png" o:title=""/>
2347</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=301
2348src="Magnetic%20Structures-I_files/image110.gif" v:shapes="Picture_x0020_40"><![endif]></span></p>
2349
2350<p class=MsoNormal>Since the scan covers a very wide range in 2<span
2351style='font-family:Symbol'>Q</span>, both sample displacements can be refined.
2352Check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
2353"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2354minor-latin;mso-bidi-theme-font:minor-latin'>Sample X</span></b> and <b
2355style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2356mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2357minor-latin'>Y <span class=SpellE>displ</span></span></b> parameters. NB: if
2358the correct <b style='mso-bidi-font-weight:normal'><span style='font-family:
2359"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2360minor-latin;mso-bidi-theme-font:minor-latin'>Goniometer radius</span></b> (<b
2361style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2362mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2363minor-latin'>650</span></b>mm) is used, these displacements will be in microns.
2364Also, it would appear that the instrument parameters do not adequately describe
2365the anisotropic broadening of the lowest angle reflection so we will need to
2366include that. Select <b style='mso-bidi-font-weight:normal'><span
2367style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2368mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Instrument
2369Parameters</span></b> from the PWDR entry and check the <b style='mso-bidi-font-weight:
2370normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2371minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SH/L
2372Refine</span></b> box. Now do <b style='mso-bidi-font-weight:normal'><span
2373style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2374mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2375until convergence is achieved (i.e. <span class=SpellE>Rwp</span> doesn’t
2376change). This will be 2-3 times. When done my <span class=SpellE>Rwp</span> was
2377~6.6% with a nice clean plot</p>
2378
2379<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2380 id="Picture_x0020_41" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:358.5pt;
2381 height:282pt;visibility:visible;mso-wrap-style:square'>
2382 <v:imagedata src="Magnetic%20Structures-I_files/image078.png" o:title=""/>
2383</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=376
2384src="Magnetic%20Structures-I_files/image111.gif" v:shapes="Picture_x0020_41"><![endif]></span></p>
2385
2386<p class=MsoNormal>Now we can add refinement of the atom positions and thermal
2387parameters. For <b style='mso-bidi-font-weight:normal'><span style='font-family:
2388"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2389minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab of the <b
2390style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2391mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2392minor-latin'>LaMnO3</span></b> phase, double click the refine column heading
2393and select <b style='mso-bidi-font-weight:normal'><span style='font-family:
2394"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2395minor-latin;mso-bidi-theme-font:minor-latin'>X</span></b> &amp; <b
2396style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2397mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2398minor-latin'>U.</span></b> This will add these parameters as allowed by
2399symmetry to the refinement. Now go to the <b style='mso-bidi-font-weight:normal'><span
2400style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2401mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2402tab for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2403mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2404minor-latin'>La <span class=SpellE>Mn</span> O3 mag_2</span></b> and double
2405click the refine tab. Select <b style='mso-bidi-font-weight:normal'><span
2406style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2407mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U</span></b>
2408&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2409mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2410minor-latin'>M</span></b>; the <span class=SpellE>Uiso</span> for the <span
2411class=SpellE>Mn</span> atom is tied via a constraint to the <span class=SpellE>Mn</span>
2412in the other phase. Now select <b style='mso-bidi-font-weight:normal'><span
2413style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2414mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
2415from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2416mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2417minor-latin'>PWDR</span></b> entry and increase the number of terms to <b
2418style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2419mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2420minor-latin'>6</span></b>. Finally do <b style='mso-bidi-font-weight:normal'><span
2421style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2422mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2423until convergence (1-2 times). My <span class=SpellE>Rwp</span> was 6.29% with
2424a plot that is hardly different from the previous one. If you press the ‘<b
2425style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2426mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2427minor-latin'></span></b> key with the focus on the plot, GSAS-II will show
2428the weighted difference curve below the plot</p>
2429
2430<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2431 id="Picture_x0020_42" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:357.75pt;
2432 height:281.25pt;visibility:visible;mso-wrap-style:square'>
2433 <v:imagedata src="Magnetic%20Structures-I_files/image080.png" o:title=""/>
2434</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=375
2435src="Magnetic%20Structures-I_files/image112.gif" v:shapes="Picture_x0020_42"><![endif]></span></p>
2436
2437<p class=MsoNormal>This curve shows a couple of peaks which are from some
2438contaminating phase, but otherwise the fluctuations are mostly within 2<span
2439style='font-family:Symbol'>s</span> of zero. Finally examine the magnetic
2440moment components of the <span class=SpellE>Mn</span> atom; <span class=SpellE><b
2441style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2442mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2443minor-latin'>Mz</span></b></span> is close to zero. It is likely that it is
2444zero; set it to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2445"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2446minor-latin;mso-bidi-theme-font:minor-latin'>zero</span></b> and then go to the
2447<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2448mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2449minor-latin'>Constraints</span></b> tree item and add a hold for the <b
2450style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2451mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2452minor-latin'>1::AMz:0</span></b> parameter so that it stays at zero. Repeat the
2453refinement; the residual is unchanged showing that setting <span class=SpellE>Mz</span>=0
2454was a valid assumption.</p>
2455
2456<h3>Step 9. Draw the magnetic structure of LaMnO<sub>3</sub></h3>
2457
2458<p class=MsoNormal>To draw the magnetic structure select the <b
2459style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2460mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2461minor-latin'>Draw Atoms</span></b> tab for the magnetic phase. The table will
2462have a single line matching that of the Atoms table with a few extra columns.</p>
2463
2464<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2465 id="Picture_x0020_43" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:362.25pt;
2466 height:84.75pt;visibility:visible;mso-wrap-style:square'>
2467 <v:imagedata src="Magnetic%20Structures-I_files/image082.png" o:title=""/>
2468</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=113
2469src="Magnetic%20Structures-I_files/image113.gif" v:shapes="Picture_x0020_43"><![endif]></span></p>
2470
2471<p class=MsoNormal>The plot will show one atom with magnetic moment. Select the
2472atom in the table and do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2473style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2474mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
2475style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2476mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2477minor-latin'> Figure/Fill unit cell</span></b>. The table will show additional
2478entries</p>
2479
2480<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2481 id="Picture_x0020_44" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:5in;
2482 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2483 <v:imagedata src="Magnetic%20Structures-I_files/image084.png" o:title=""/>
2484</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=186
2485src="Magnetic%20Structures-I_files/image114.gif" v:shapes="Picture_x0020_44"><![endif]></span></p>
2486
2487<p class=MsoNormal>The plot will show the unit cell contents of <span
2488class=SpellE>Mn</span> atoms each with its magnetic moment; they are arranged
2489in layers along the b-axis with the <span class=GramE>moments</span>
2490antiparallel from one layer to the next. Some are red indicating that a spin inversion
2491operation was applied for that atom moment.</p>
2492
2493<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2494 id="Picture_x0020_45" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:5in;
2495 height:368.25pt;visibility:visible;mso-wrap-style:square'>
2496 <v:imagedata src="Magnetic%20Structures-I_files/image086.png" o:title=""/>
2497</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
2498src="Magnetic%20Structures-I_files/image116.gif" v:shapes="Picture_x0020_45"><![endif]></span></p>
2499
2500<p class=MsoNormal>This completes this tutorial; you can save the project if
2501you wish &amp; close GSAS-II.</p>
2502
2503<p class=MsoNormal>If desired you can try to repeat the 2<sup>nd</sup> example,
2504Ca doped LaMnO<sub>3</sub>, which is a ferromagnet. There is no cell doubling
2505so again the propagation vector <span class=SpellE>kx<span class=GramE>,ky,kz</span></span>
2506is zero and k-SUBGROUPSMAG will suggest 4 possible magnetic space groups for <span
2507class=SpellE>Pbnm</span> (a nonstandard variant of <span class=SpellE>Pnma</span>)
2508which have an even number of spin inversions. Again, if k-SUBGROUPSMAG is
2509unavailable, you can find the result in <b style='mso-bidi-font-weight:normal'><span
2510style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2511mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaCaMnO3 <span
2512class=SpellE>base.gpx</span></span></b>. There is no distinction based on
2513reflection extinctions, so all 4 must be tested as shown in the Simple Magnetic
2514Structures tutorial. You should find as before that the <span class=SpellE>Pbn’m</span>’
2515magnetic structure is the best one.</p>
2516
2517<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2518
2519</div>
2520
2521</body>
2522
2523</html>
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