source: Tutorials/Magnetic-I/Magnetic Structures-I.htm @ 3611

Last change on this file since 3611 was 3611, checked in by vondreele, 5 years ago

new tutorial - Magnetic-I & some fixes to Simple Magnetic
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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"
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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-left:0in;
783        mso-pagination:widow-orphan;
784        mso-outline-level:5;
785        font-size:12.0pt;
786        font-family:"Times New Roman",serif;
787        mso-fareast-font-family:"Times New Roman";
788        mso-fareast-theme-font:minor-fareast;
789        color:#4F4FFF;
790        font-weight:bold;}
791a:link, span.MsoHyperlink
792        {mso-style-priority:99;
793        color:blue;
794        text-decoration:underline;
795        text-underline:single;}
796a:visited, span.MsoHyperlinkFollowed
797        {mso-style-noshow:yes;
798        mso-style-priority:99;
799        color:purple;
800        text-decoration:underline;
801        text-underline:single;}
802p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
803        {mso-style-noshow:yes;
804        mso-style-priority:99;
805        mso-style-link:"Document Map Char";
806        margin:0in;
807        margin-bottom:.0001pt;
808        mso-pagination:widow-orphan;
809        font-size:8.0pt;
810        font-family:"Tahoma",sans-serif;
811        mso-fareast-font-family:"Times New Roman";
812        mso-fareast-theme-font:minor-fareast;}
813p
814        {mso-style-noshow:yes;
815        mso-style-priority:99;
816        mso-margin-top-alt:auto;
817        margin-right:0in;
818        mso-margin-bottom-alt:auto;
819        margin-left:0in;
820        mso-pagination:widow-orphan;
821        font-size:12.0pt;
822        font-family:"Times New Roman",serif;
823        mso-fareast-font-family:"Times New Roman";
824        mso-fareast-theme-font:minor-fareast;}
825pre
826        {mso-style-noshow:yes;
827        mso-style-priority:99;
828        mso-style-link:"HTML Preformatted Char";
829        margin:0in;
830        margin-bottom:.0001pt;
831        mso-pagination:widow-orphan;
832        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;
833        font-size:10.0pt;
834        font-family:"Courier New";
835        mso-fareast-font-family:"Times New Roman";}
836p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
837        {mso-style-noshow:yes;
838        mso-style-priority:99;
839        mso-style-link:"Balloon Text Char";
840        margin:0in;
841        margin-bottom:.0001pt;
842        mso-pagination:widow-orphan;
843        font-size:8.0pt;
844        font-family:"Tahoma",sans-serif;
845        mso-fareast-font-family:"Times New Roman";
846        mso-fareast-theme-font:minor-fareast;}
847span.MsoPlaceholderText
848        {mso-style-noshow:yes;
849        mso-style-priority:99;
850        mso-style-unhide:no;
851        color:gray;}
852p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
853        {mso-style-noshow:yes;
854        mso-style-priority:1;
855        mso-style-unhide:no;
856        mso-style-qformat:yes;
857        mso-style-parent:"";
858        margin:0in;
859        margin-bottom:.0001pt;
860        mso-pagination:widow-orphan;
861        font-size:12.0pt;
862        font-family:"Times New Roman",serif;
863        mso-fareast-font-family:"Times New Roman";
864        mso-fareast-theme-font:minor-fareast;}
865p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
866        {mso-style-noshow:yes;
867        mso-style-priority:34;
868        mso-style-unhide:no;
869        mso-style-qformat:yes;
870        margin-top:0in;
871        margin-right:0in;
872        margin-bottom:0in;
873        margin-left:.5in;
874        margin-bottom:.0001pt;
875        mso-add-space:auto;
876        mso-pagination:widow-orphan;
877        font-size:12.0pt;
878        font-family:"Times New Roman",serif;
879        mso-fareast-font-family:"Times New Roman";
880        mso-fareast-theme-font:minor-fareast;}
881p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
882        {mso-style-noshow:yes;
883        mso-style-priority:34;
884        mso-style-unhide:no;
885        mso-style-qformat:yes;
886        mso-style-type:export-only;
887        margin-top:0in;
888        margin-right:0in;
889        margin-bottom:0in;
890        margin-left:.5in;
891        margin-bottom:.0001pt;
892        mso-add-space:auto;
893        mso-pagination:widow-orphan;
894        font-size:12.0pt;
895        font-family:"Times New Roman",serif;
896        mso-fareast-font-family:"Times New Roman";
897        mso-fareast-theme-font:minor-fareast;}
898p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
899        {mso-style-noshow:yes;
900        mso-style-priority:34;
901        mso-style-unhide:no;
902        mso-style-qformat:yes;
903        mso-style-type:export-only;
904        margin-top:0in;
905        margin-right:0in;
906        margin-bottom:0in;
907        margin-left:.5in;
908        margin-bottom:.0001pt;
909        mso-add-space:auto;
910        mso-pagination:widow-orphan;
911        font-size:12.0pt;
912        font-family:"Times New Roman",serif;
913        mso-fareast-font-family:"Times New Roman";
914        mso-fareast-theme-font:minor-fareast;}
915p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
916        {mso-style-noshow:yes;
917        mso-style-priority:34;
918        mso-style-unhide:no;
919        mso-style-qformat:yes;
920        mso-style-type:export-only;
921        margin-top:0in;
922        margin-right:0in;
923        margin-bottom:0in;
924        margin-left:.5in;
925        margin-bottom:.0001pt;
926        mso-add-space:auto;
927        mso-pagination:widow-orphan;
928        font-size:12.0pt;
929        font-family:"Times New Roman",serif;
930        mso-fareast-font-family:"Times New Roman";
931        mso-fareast-theme-font:minor-fareast;}
932span.MsoIntenseReference
933        {mso-style-priority:32;
934        mso-style-unhide:no;
935        mso-style-qformat:yes;
936        font-variant:small-caps;
937        color:#C0504D;
938        mso-themecolor:accent2;
939        letter-spacing:.25pt;
940        font-weight:bold;
941        text-decoration:underline;
942        text-underline:single;}
943span.Heading1Char
944        {mso-style-name:"Heading 1 Char";
945        mso-style-priority:9;
946        mso-style-unhide:no;
947        mso-style-locked:yes;
948        mso-style-link:"Heading 1";
949        mso-ansi-font-size:24.0pt;
950        mso-bidi-font-size:24.0pt;
951        font-family:"Times New Roman",serif;
952        mso-ascii-font-family:"Times New Roman";
953        mso-fareast-font-family:"Times New Roman";
954        mso-fareast-theme-font:minor-fareast;
955        mso-hansi-font-family:"Times New Roman";
956        mso-bidi-font-family:"Times New Roman";
957        mso-font-kerning:18.0pt;
958        font-weight:bold;}
959span.Heading2Char
960        {mso-style-name:"Heading 2 Char";
961        mso-style-priority:9;
962        mso-style-unhide:no;
963        mso-style-locked:yes;
964        mso-style-link:"Heading 2";
965        mso-ansi-font-size:18.0pt;
966        mso-bidi-font-size:18.0pt;
967        font-family:"Times New Roman",serif;
968        mso-ascii-font-family:"Times New Roman";
969        mso-fareast-font-family:"Times New Roman";
970        mso-fareast-theme-font:minor-fareast;
971        mso-hansi-font-family:"Times New Roman";
972        mso-bidi-font-family:"Times New Roman";
973        font-weight:bold;}
974span.Heading3Char
975        {mso-style-name:"Heading 3 Char";
976        mso-style-priority:9;
977        mso-style-unhide:no;
978        mso-style-locked:yes;
979        mso-style-link:"Heading 3";
980        mso-ansi-font-size:13.5pt;
981        mso-bidi-font-size:13.5pt;
982        font-family:"Times New Roman",serif;
983        mso-ascii-font-family:"Times New Roman";
984        mso-fareast-font-family:"Times New Roman";
985        mso-fareast-theme-font:minor-fareast;
986        mso-hansi-font-family:"Times New Roman";
987        mso-bidi-font-family:"Times New Roman";
988        font-weight:bold;}
989span.Heading4Char
990        {mso-style-name:"Heading 4 Char";
991        mso-style-noshow:yes;
992        mso-style-priority:9;
993        mso-style-unhide:no;
994        mso-style-locked:yes;
995        mso-style-link:"Heading 4";
996        mso-ansi-font-size:13.0pt;
997        mso-bidi-font-size:13.0pt;
998        font-family:"Cambria",serif;
999        mso-ascii-font-family:Cambria;
1000        mso-ascii-theme-font:major-latin;
1001        mso-fareast-font-family:"Times New Roman";
1002        mso-fareast-theme-font:major-fareast;
1003        mso-hansi-font-family:Cambria;
1004        mso-hansi-theme-font:major-latin;
1005        mso-bidi-font-family:"Times New Roman";
1006        mso-bidi-theme-font:major-bidi;
1007        color:#4F81BD;
1008        mso-themecolor:accent1;
1009        font-weight:bold;
1010        font-style:italic;}
1011span.Heading5Char
1012        {mso-style-name:"Heading 5 Char";
1013        mso-style-noshow:yes;
1014        mso-style-priority:9;
1015        mso-style-unhide:no;
1016        mso-style-locked:yes;
1017        mso-style-link:"Heading 5";
1018        mso-ansi-font-size:12.0pt;
1019        mso-bidi-font-size:12.0pt;
1020        font-family:"Times New Roman",serif;
1021        mso-ascii-font-family:"Times New Roman";
1022        mso-fareast-font-family:"Times New Roman";
1023        mso-fareast-theme-font:minor-fareast;
1024        mso-hansi-font-family:"Times New Roman";
1025        mso-bidi-font-family:"Times New Roman";
1026        color:#4F4FFF;
1027        font-weight:bold;}
1028span.HTMLPreformattedChar
1029        {mso-style-name:"HTML Preformatted Char";
1030        mso-style-noshow:yes;
1031        mso-style-priority:99;
1032        mso-style-unhide:no;
1033        mso-style-locked:yes;
1034        mso-style-link:"HTML Preformatted";
1035        mso-ansi-font-size:10.0pt;
1036        mso-bidi-font-size:10.0pt;
1037        font-family:"Courier New";
1038        mso-ascii-font-family:"Courier New";
1039        mso-fareast-font-family:"Times New Roman";
1040        mso-hansi-font-family:"Courier New";
1041        mso-bidi-font-family:"Courier New";}
1042p.msonormal0, li.msonormal0, div.msonormal0
1043        {mso-style-name:msonormal;
1044        mso-style-noshow:yes;
1045        mso-style-priority:99;
1046        mso-style-unhide:no;
1047        mso-margin-top-alt:auto;
1048        margin-right:0in;
1049        mso-margin-bottom-alt:auto;
1050        margin-left:0in;
1051        mso-pagination:widow-orphan;
1052        font-size:12.0pt;
1053        font-family:"Times New Roman",serif;
1054        mso-fareast-font-family:"Times New Roman";
1055        mso-fareast-theme-font:minor-fareast;}
1056span.DocumentMapChar
1057        {mso-style-name:"Document Map Char";
1058        mso-style-noshow:yes;
1059        mso-style-priority:99;
1060        mso-style-unhide:no;
1061        mso-style-locked:yes;
1062        mso-style-link:"Document Map";
1063        mso-ansi-font-size:8.0pt;
1064        mso-bidi-font-size:8.0pt;
1065        font-family:"Tahoma",sans-serif;
1066        mso-ascii-font-family:Tahoma;
1067        mso-fareast-font-family:"Times New Roman";
1068        mso-fareast-theme-font:minor-fareast;
1069        mso-hansi-font-family:Tahoma;
1070        mso-bidi-font-family:Tahoma;}
1071span.BalloonTextChar
1072        {mso-style-name:"Balloon Text Char";
1073        mso-style-noshow:yes;
1074        mso-style-priority:99;
1075        mso-style-unhide:no;
1076        mso-style-locked:yes;
1077        mso-style-link:"Balloon Text";
1078        mso-ansi-font-size:8.0pt;
1079        mso-bidi-font-size:8.0pt;
1080        font-family:"Tahoma",sans-serif;
1081        mso-ascii-font-family:Tahoma;
1082        mso-fareast-font-family:"Times New Roman";
1083        mso-fareast-theme-font:minor-fareast;
1084        mso-hansi-font-family:Tahoma;
1085        mso-bidi-font-family:Tahoma;}
1086span.GSAS-IItextChar
1087        {mso-style-name:"GSAS-II text Char";
1088        mso-style-unhide:no;
1089        mso-style-locked:yes;
1090        mso-style-link:"GSAS-II text";
1091        mso-ansi-font-size:12.0pt;
1092        mso-bidi-font-size:12.0pt;
1093        font-family:"Times New Roman",serif;
1094        mso-ascii-font-family:"Times New Roman";
1095        mso-fareast-font-family:"Times New Roman";
1096        mso-fareast-theme-font:minor-fareast;
1097        mso-hansi-font-family:"Times New Roman";
1098        mso-bidi-font-family:Calibri;
1099        mso-bidi-theme-font:minor-latin;
1100        font-weight:bold;
1101        mso-bidi-font-weight:normal;}
1102p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1103        {mso-style-name:"GSAS-II text";
1104        mso-style-noshow:yes;
1105        mso-style-priority:99;
1106        mso-style-unhide:no;
1107        mso-style-link:"GSAS-II text Char";
1108        margin:0in;
1109        margin-bottom:.0001pt;
1110        mso-pagination:widow-orphan;
1111        font-size:12.0pt;
1112        font-family:"Calibri",sans-serif;
1113        mso-ascii-font-family:Calibri;
1114        mso-ascii-theme-font:minor-latin;
1115        mso-fareast-font-family:"Times New Roman";
1116        mso-fareast-theme-font:minor-fareast;
1117        mso-hansi-font-family:Calibri;
1118        mso-hansi-theme-font:minor-latin;
1119        mso-bidi-font-family:Calibri;
1120        mso-bidi-theme-font:minor-latin;
1121        font-weight:bold;
1122        mso-bidi-font-weight:normal;}
1123span.SpellE
1124        {mso-style-name:"";
1125        mso-spl-e:yes;}
1126span.GramE
1127        {mso-style-name:"";
1128        mso-gram-e:yes;}
1129.MsoChpDefault
1130        {mso-style-type:export-only;
1131        mso-default-props:yes;
1132        font-size:10.0pt;
1133        mso-ansi-font-size:10.0pt;
1134        mso-bidi-font-size:10.0pt;
1135        font-family:"Calibri",sans-serif;
1136        mso-ascii-font-family:Calibri;
1137        mso-ascii-theme-font:minor-latin;
1138        mso-fareast-font-family:Calibri;
1139        mso-fareast-theme-font:minor-latin;
1140        mso-hansi-font-family:Calibri;
1141        mso-hansi-theme-font:minor-latin;
1142        mso-bidi-font-family:"Times New Roman";
1143        mso-bidi-theme-font:minor-bidi;}
1144@page WordSection1
1145        {size:8.5in 11.0in;
1146        margin:1.0in 1.0in 1.0in 1.0in;
1147        mso-header-margin:.5in;
1148        mso-footer-margin:.5in;
1149        mso-paper-source:0;}
1150div.WordSection1
1151        {page:WordSection1;}
1152 /* List Definitions */
1153 @list l0
1154        {mso-list-id:15860155;
1155        mso-list-type:hybrid;
1156        mso-list-template-ids:234676978 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1157@list l0:level1
1158        {mso-level-tab-stop:none;
1159        mso-level-number-position:left;
1160        margin-left:.75in;
1161        text-indent:-.25in;}
1162@list l0:level2
1163        {mso-level-number-format:alpha-lower;
1164        mso-level-tab-stop:none;
1165        mso-level-number-position:left;
1166        margin-left:1.25in;
1167        text-indent:-.25in;}
1168@list l0:level3
1169        {mso-level-number-format:roman-lower;
1170        mso-level-tab-stop:none;
1171        mso-level-number-position:right;
1172        margin-left:1.75in;
1173        text-indent:-9.0pt;}
1174@list l0:level4
1175        {mso-level-tab-stop:none;
1176        mso-level-number-position:left;
1177        margin-left:2.25in;
1178        text-indent:-.25in;}
1179@list l0:level5
1180        {mso-level-number-format:alpha-lower;
1181        mso-level-tab-stop:none;
1182        mso-level-number-position:left;
1183        margin-left:2.75in;
1184        text-indent:-.25in;}
1185@list l0:level6
1186        {mso-level-number-format:roman-lower;
1187        mso-level-tab-stop:none;
1188        mso-level-number-position:right;
1189        margin-left:3.25in;
1190        text-indent:-9.0pt;}
1191@list l0:level7
1192        {mso-level-tab-stop:none;
1193        mso-level-number-position:left;
1194        margin-left:3.75in;
1195        text-indent:-.25in;}
1196@list l0:level8
1197        {mso-level-number-format:alpha-lower;
1198        mso-level-tab-stop:none;
1199        mso-level-number-position:left;
1200        margin-left:4.25in;
1201        text-indent:-.25in;}
1202@list l0:level9
1203        {mso-level-number-format:roman-lower;
1204        mso-level-tab-stop:none;
1205        mso-level-number-position:right;
1206        margin-left:4.75in;
1207        text-indent:-9.0pt;}
1208@list l1
1209        {mso-list-id:608973138;
1210        mso-list-type:hybrid;
1211        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1212@list l1:level1
1213        {mso-level-tab-stop:none;
1214        mso-level-number-position:left;
1215        margin-left:.25in;
1216        text-indent:-.25in;}
1217@list l1:level2
1218        {mso-level-number-format:alpha-lower;
1219        mso-level-tab-stop:none;
1220        mso-level-number-position:left;
1221        margin-left:.75in;
1222        text-indent:-.25in;}
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1408</head>
1409
1410<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1411
1412<div class=WordSection1>
1413
1414<h1>Magnetic Structures in GSAS-II – I</h1>
1415
1416<h2>Introduction</h2>
1417
1418<p class=MsoNormal>In this and subsequent tutorials, we will show how GSAS-II
1419makes use of the Bilbao crystallographic server (<a
1420href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>) <i style='mso-bidi-font-style:
1421normal'>Magnetic Symmetry and Applications</i> routine k-SUBGROUPSMAG (<a
1422href="http://iopscience.iop.org/0953-8984/28/28/286001"><span style='font-size:
142310.0pt;font-family:"Arial",sans-serif;color:windowtext;text-decoration:none;
1424text-underline:none'>Perez-<span class=SpellE>Mato</span>, JM; <span
1425class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1426class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI<br>
1427<i>J. of Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1428to determine magnetic crystal structures. If you have not done so already, you
1429may wish to do the Simple Magnetic Structures tutorial first as it contains
1430some background information that will not be covered here. To make this work,
1431your computer must have an internet connection for GSAS-II to access this site.
1432</p>
1433
1434<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1435
1436<p class=MsoNormal>To see how this works for simple cases, we will repeat the first
1437exercise in the Simple Magnetic Structures in GSAS-II in this tutorial,
1438skipping some steps as these are not needed. We will determine the magnetic
1439structure for the simple antiferromagnet LaMnO<sub>3</sub> which is <span
1440class=GramE>an</span> perovskite distorted by a strong <span class=SpellE>Jahn</span>-Teller
1441effect to an orthorhombic cell. Neutron powder diffraction data was obtained on
1442BT-1 at the NIST reactor at 50K (thanks to Qingzhen Huang for providing the
1443data).</p>
1444
1445<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1446about the internet connection!).</p>
1447
1448<h2>Simple Antiferromagnet: LaMnO<sub>3</sub></h2>
1449
1450<h3>Step 1: Read in the data file</h3>
1451
1452<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1453text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1454style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1455style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1456the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1457mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1458minor-latin'>Import/Powder Data/from GSAS powder data file</span></b> menu item
1459to read the data file into the current GSAS-II project. This read option is set
1460to read any of the powder data formats defined for GSAS (angles in <span
1461class=SpellE>centidegrees</span>, TOF in µsec). Other submenu items will read
1462the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1463style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1464mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
1465format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1466style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1467mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
1468format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
1469style='mso-spacerun:yes'>  </span>In those cases, you would change the file
1470directory to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1471style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1472mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span>
1473format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1474style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1475mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
1476format (angles in degrees) used by <span class=SpellE>Topas</span>, etc. to see
1477them. Because you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1478minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
1479style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1480mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1481minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
1482Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
1483downloaded the exercise files (recommended), then the </span><span
1484class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1485"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1486Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SimpleMagnetic</span></b></span><b
1487style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1488mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1489minor-latin;mso-hansi-theme-font:minor-latin'>/data/...</span></b><span
1490style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1491entry will bring you to the location where the files have been downloaded. (It
1492is also possible to download them manually from <a
1493href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/</a>.
1494In this case you will need to navigate to the download location manually.)<br>
1495For this tutorial you should see the data file in the file browser, but if
1496extensions on data files are not the expected ones, you may need to change the
1497file type to <b style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find
1498the desired file.</span></p>
1499
1500<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1501auto;text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1502style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1503style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1504the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1505mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1506minor-latin'>CaMnO3_50K.gsas</span></b><span style='font-family:"Calibri",sans-serif;
1507mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1508minor-latin'> data</span> file in the first dialog and press <b
1509style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1510mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1511minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1512class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1513"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1514minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1515style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1516mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1517minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1518style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1519mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1520minor-latin'>Yes</span></b></span> button to proceed.</p>
1521
1522<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1523text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1524style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1525style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1526this data file does not define an instrument parameter file, a file dialog will
1527appear for you to select the correct instrument parameter file. Select <b
1528style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1529mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1530minor-latin'>BT1_Cu300.inst</span></b>; you may have to change the file type in
1531the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1532style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1533mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1534class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1535style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1536mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1537minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
1538
1539<h2><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype id="_x0000_t75"
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1564
1565<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
1566powder pattern</p>
1567
1568<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1569 id="Picture_x0020_4" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:361.5pt;
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1573src="Magnetic%20Structures-I_files/image004.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1574
1575<h3>Step 2: Select Limits </h3>
1576
1577<p class=MsoNormal><span style='mso-spacerun:yes'> </span>This pattern has more
1578data than we need, so it is helpful to cut down the range and one probably
1579doesn’t want to use the two very broad peaks at the upper end of the pattern as
1580they don’t contain much information for the magnetic structure. One also should
1581be careful in selecting the lower limit especially for magnetic structure
1582studies as a small peak may be hidden at low angles that can decisively
1583determine a magnetic structure (there are none in this example, but this issue
1584will be apparent in the next example). Click on the <b style='mso-bidi-font-weight:
1585normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1586minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Limits</span></b>
1587item in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1588"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
1589data tree</span></b>. Use the <b style='mso-bidi-font-weight:normal'><span
1590style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1591mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>New:</span></b>
1592set of entry boxes to set <span class=SpellE><b style='mso-bidi-font-weight:
1593normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1594minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmin</span></b></span>
1595and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1596style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1597mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b></span>
1598to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1599mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6 </span></b>and
1600<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1601mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1602minor-latin'>156</span></b>. Notice on the plot that the limit lines have moved
1603to these positions; the green lower limit is just below the 1<sup>st</sup> peak
1604and the red upper limit is just below that last two broad peaks. You may also
1605drag the limit lines to the desired location or place them by a left mouse
1606click on a data point for the lower limit or a right click on a data point for
1607the upper limit. The plot should look like</p>
1608
1609<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1610 id="Picture_x0020_5" o:spid="_x0000_i1061" type="#_x0000_t75" style='width:5in;
1611 height:308.25pt;visibility:visible;mso-wrap-style:square'>
1612 <v:imagedata src="Magnetic%20Structures-I_files/image005.png" o:title=""/>
1613</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=411
1614src="Magnetic%20Structures-I_files/image006.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1615
1616<h3>Step 3: Read in the chemical structure for LaMnO<sub>3</sub></h3>
1617
1618<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1619text-indent:-.25in;mso-list:l2 level1 lfo4'><![if !supportLists]><span
1620style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1621style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1622the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1623mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1624minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1625information for LaMnO<sub>3</sub> into the current GSAS-II project. This read
1626option is set to read Crystallographic Information Files (CIF). Other submenu
1627items will read phase information in other formats.<span
1628style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
1629Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1630normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1631minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1632mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1633style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1634menu entry to open this page and downloaded the exercise files (recommended),
1635then the </span><span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1636style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1637mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1638minor-latin'>SimpleMagnetic</span></b></span><b style='mso-bidi-font-weight:
1639normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1640minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1641mso-hansi-theme-font:minor-latin'>/data/...</span></b><span style='mso-fareast-font-family:
1642Calibri;mso-fareast-theme-font:minor-latin'> entry will bring you to the
1643location where the files have been downloaded. (It is also possible to download
1644them manually from <a
1645href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-I/data/</a>.
1646In this case you will need to navigate to the download location manually.)</span></p>
1647
1648<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1649auto;text-indent:-.25in;mso-list:l2 level1 lfo4'><![if !supportLists]><span
1650style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1651style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1652the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1653mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1654minor-latin'>LaMnO3.cif</span></b><span style='font-family:"Calibri",sans-serif;
1655mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1656minor-latin'> data</span> file in the first dialog and press <b
1657style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1658mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1659minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1660class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1661"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1662minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1663style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1664mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1665minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1666style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1667mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1668minor-latin'>Yes</span></b></span> button to proceed. You will get the
1669opportunity to change the phase name next; press <b style='mso-bidi-font-weight:
1670normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1671minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1672to continue.</p>
1673
1674<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1675auto;text-indent:-.25in;mso-list:l2 level1 lfo4'><![if !supportLists]><span
1676style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1677style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1678is the histogram selection window; this connects the phase to the data so it
1679can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span></p>
1680
1681<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1682auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1683 o:spid="_x0000_i1060" type="#_x0000_t75" style='width:283.5pt;height:228.75pt;
1684 visibility:visible;mso-wrap-style:square'>
1685 <v:imagedata src="Magnetic%20Structures-I_files/image007.png" o:title=""/>
1686</v:shape><![endif]--><![if !vml]><img border=0 width=378 height=305
1687src="Magnetic%20Structures-I_files/image008.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1688
1689<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>Select
1690the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1691style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1692mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1693and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1694mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1695minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
1696<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1697 o:spid="_x0000_i1059" type="#_x0000_t75" style='width:344.25pt;height:177.75pt;
1698 visibility:visible;mso-wrap-style:square'>
1699 <v:imagedata src="Magnetic%20Structures-I_files/image009.png" o:title=""/>
1700</v:shape><![endif]--><![if !vml]><img border=0 width=459 height=237
1701src="Magnetic%20Structures-I_files/image010.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1702
1703<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1704
1705<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1706
1707<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1708
1709<h3>Step 4. Check powder pattern indexing</h3>
1710
1711<p class=MsoNormal>Here the objective is to determine how the reflection
1712positions generated from the chemical (“nuclear”) crystal structure lattice match
1713up with the peaks observed for this antiferromagnet. </p>
1714
1715<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1716text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
1717style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1718style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1719<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1720mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1721minor-latin'>Unit Cells List</span></b> from the tree entries under the
1722histogram (begins with PWDR); the Indexing controls will be shown<br>
1723<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1724 o:spid="_x0000_i1058" type="#_x0000_t75" style='width:348.75pt;height:125.25pt;
1725 visibility:visible;mso-wrap-style:square'>
1726 <v:imagedata src="Magnetic%20Structures-I_files/image011.png" o:title=""/>
1727</v:shape><![endif]--><![if !vml]><img border=0 width=465 height=167
1728src="Magnetic%20Structures-I_files/image012.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1729
1730<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1731auto'>This can be use lattice parameters &amp; space groups to generate
1732expected reflection positions to check against the peaks in the powder pattern.
1733</p>
1734
1735<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1736auto;text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span
1737style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1738style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>One
1739could then enter <span class=SpellE>Bravais</span> lattice, choose space group
1740&amp; enter lattice parameters by hand, but the easy way is to use the chemical
1741lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1742style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1743mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1744Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1745appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1746style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1747mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3</span></b>).
1748This was taken from the Phases present in this project; there could be more
1749than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1750normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1751minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1752menu item allows you to get lattice information from any one of the other phase
1753containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1754style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1755mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1756and the Indexing controls will be change<br>
1757<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
1758 o:spid="_x0000_i1057" type="#_x0000_t75" style='width:340.5pt;height:122.25pt;
1759 visibility:visible;mso-wrap-style:square'>
1760 <v:imagedata src="Magnetic%20Structures-I_files/image013.png" o:title=""/>
1761</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=163
1762src="Magnetic%20Structures-I_files/image014.gif" v:shapes="Picture_x0020_9"><![endif]></span><br>
1763showing the lattice constants for LaMnO<sub>3</sub> you had obtained from the <span
1764class=SpellE>cif</span> file and the powder pattern will change showing the
1765lines for P n m a and the LaMnO3 lattice parameters. Change the space group to <b
1766style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1767mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1768minor-latin'>P m <span class=SpellE>m</span> <span class=SpellE>m</span></span></b>;
1769the plot will change showing the new lines.</p>
1770
1771<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1772auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1056"
1773 type="#_x0000_t75" style='width:342pt;height:279.75pt;visibility:visible;
1774 mso-wrap-style:square'>
1775 <v:imagedata src="Magnetic%20Structures-I_files/image028.png" o:title=""/>
1776</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=373
1777src="Magnetic%20Structures-I_files/image015.gif" v:shapes="_x0000_i1056"><![endif]></span></p>
1778
1779<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>Notice
1780that every peak is indexed by this cell, therefore the magnetic lattice is the
1781same as the chemical cell. It just has some magnetically allowed reflections
1782that were forbidden in the space group P n m a. No doubling of the unit cell
1783along any axes is needed, this makes the magnetic propagation vector, <span
1784class=SpellE>kx</span> <span class=SpellE>ky</span> <span class=SpellE>kz</span>
1785= 0<span class=GramE>,0,0</span>; this will be needed in the next step. Now
1786change the space group back to <b style='mso-bidi-font-weight:normal'><span
1787style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1788mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P m n a</span></b>
1789(<b style='mso-bidi-font-weight:normal'>VERY IMPORTANT!)</b></p>
1790
1791<h3>Step 5. Run k-SUBGROUPSMAG</h3>
1792
1793<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1794crystallographic server so you must be connected to the internet. In the Cell
1795Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1796style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1797mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1798k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1799
1800<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1801 id="_x0000_i1055" type="#_x0000_t75" style='width:166.5pt;height:278.25pt;
1802 visibility:visible;mso-wrap-style:square'>
1803 <v:imagedata src="Magnetic%20Structures-I_files/image030.png" o:title=""/>
1804</v:shape><![endif]--><![if !vml]><img border=0 width=222 height=371
1805src="Magnetic%20Structures-I_files/image016.gif" v:shapes="_x0000_i1055"><![endif]></span></p>
1806
1807<p class=MsoNormal>These are the controls for running the Bilbao routine; the
1808space group is also required. That was taken from the Space Group entry on the
1809Unit Cells window. Since we did not discover any cell doubling, leave the <span
1810class=SpellE>kx</span> <span class=SpellE><span class=GramE>ky</span></span> <span
1811class=SpellE>kz</span> entries blank. Do select <span class=SpellE><b
1812style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1813mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1814minor-latin'>Mn</span></b></span> from the <b style='mso-bidi-font-weight:normal'><span
1815style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1816mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>test for mag.
1817atoms</span></b> pulldown as that will restrict the models to those with a
1818nonzero magnetic moment on the <span class=SpellE>Mn</span> atoms. We will
1819discuss the other options in another tutorial. Press <b style='mso-bidi-font-weight:
1820normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1821minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>.
1822A popup dialog will appear reminding you how to cite the Bilbao routine in any
1823paper you write using this facility.</p>
1824
1825<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1826 id="Picture_x0020_16" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:357.75pt;
1827 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1828 <v:imagedata src="Magnetic%20Structures-I_files/image032.png" o:title=""/>
1829</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1830src="Magnetic%20Structures-I_files/image017.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1831
1832<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1833style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1834mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1835the nag note will also appear on the console and after a pause, the console
1836will show “request OK” indicating that the Bilbao site has responded with some
1837results. GSAS-II will next display a File Dialog asking for a project name to
1838save this project; change the directory to a useful place for your work on this
1839tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1840normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1841minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3
1842base.<o:p></o:p></span></b></p>
1843
1844<p class=MsoNormal><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1845minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>The
1846GSAS-II data window will display the results from k-SUBGROUPSMAG.<o:p></o:p></span></p>
1847
1848<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1849 id="_x0000_i1053" type="#_x0000_t75" style='width:357.75pt;height:232.5pt;
1850 visibility:visible;mso-wrap-style:square'>
1851 <v:imagedata src="Magnetic%20Structures-I_files/image034.png" o:title=""/>
1852</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=310
1853src="Magnetic%20Structures-I_files/image018.gif" v:shapes="_x0000_i1053"><![endif]></span></p>
1854
1855<p class=MsoNormal>The table shows all the magnetic space groups that are
1856possible starting with P n m <span class=GramE>a and</span> zero propagation
1857vector. Notice that it goes all the way to a triclinic P1 magnetic space group;
1858you probably will never need to go that far to find a suitable magnetic space
1859group. The ones marked ‘Keep’ have a possibly magnetic <span class=SpellE>Mn</span>
1860atom based on the magnetic site symmetries of the transformed atom positions
1861(there may be more than one). Each entry also shows the transformation matrix
1862in symbolic form and the necessary origin shift so that the new structure is
1863properly positioned to satisfy the new space group. The Try box is for you to
1864test the reflection indexing of each structure to be sure all the magnetic
1865peaks are included. Try each of the first 3 that are marked Keep (you may recognize
1866these from the Simple Magnetic Tutorial). As you select each one the powder
1867pattern will be replotted showing the allowed lines. For the 2<sup>nd</sup> <span
1868class=GramE>one ,</span> <span class=SpellE><b style='mso-bidi-font-weight:
1869normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1870minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Pn’ma</span></b></span><b
1871style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1872mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1873minor-latin'>’</span></b>, the plot shows all lines indexed (apart from the contaminant
1874peak at 15.69°2&#920;).</p>
1875
1876<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1877 id="Picture_x0020_12" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:355.5pt;
1878 height:290.25pt;visibility:visible;mso-wrap-style:square'>
1879 <v:imagedata src="Magnetic%20Structures-I_files/image019.png" o:title=""/>
1880</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=387
1881src="Magnetic%20Structures-I_files/image020.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1882
1883<p class=MsoNormal>I’ve zoomed in on the low angle region for clarity. If you <span
1884class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1885"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1886minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b></span> the <span
1887class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1888"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1889minor-latin;mso-bidi-theme-font:minor-latin'>Pnma</span></b></span> one as
1890well, it will index all the lines (even showing two that straddle the
1891contaminant line). You can then <span class=SpellE><span class=GramE>un”</span><b
1892style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1893mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1894minor-latin'>Keep</span></b></span>” the other choices so they don’t appear in
1895a later step where you select the magnetic phase. Now do a <b style='mso-bidi-font-weight:
1896normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1897minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save
1898project</span></b>; that will save your choices for later (there should be at
1899least two).</p>
1900
1901<h3>Step 6. Select a magnetic phase</h3>
1902
1903<p class=MsoNormal>In the previous step we discovered two possible magnetic
1904structures that both indexed all the reflections in the powder pattern (in one
1905case even the contaminant line) and allowed the <span class=SpellE>Mn</span>
1906atom sites to have magnetic moments. We will see those next. Select the <b
1907style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1908mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1909minor-latin'>LaMnO3</span></b> phase from the GSAS-II data tree (under Phases).
1910The General tab is shown for this nuclear phase.</p>
1911
1912<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1913 id="Picture_x0020_13" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:361.5pt;
1914 height:235.5pt;visibility:visible;mso-wrap-style:square'>
1915 <v:imagedata src="Magnetic%20Structures-I_files/image036.png" o:title=""/>
1916</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=314
1917src="Magnetic%20Structures-I_files/image037.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
1918
1919<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1920style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1921mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1922magnetic phase</span></b>; that will make a small popup dialog</p>
1923
1924<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1925 id="Picture_x0020_14" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:171pt;
1926 height:2in;visibility:visible;mso-wrap-style:square'>
1927 <v:imagedata src="Magnetic%20Structures-I_files/image038.png" o:title=""/>
1928</v:shape><![endif]--><![if !vml]><img border=0 width=228 height=192
1929src="Magnetic%20Structures-I_files/image039.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
1930
1931<p class=MsoNormal>This shows all magnetic phases that were marked Keep in the
1932Unit Cells List (in my case just 2; yours may be more if you didn’t <span
1933class=SpellE>unKeep</span> all the lower symmetry ones). Select the 1<sup>st</sup>
1934one and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
1935"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1936minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>; a new popup dialog
1937will appear.</p>
1938
1939<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1940 id="Picture_x0020_15" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:262.5pt;
1941 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1942 <v:imagedata src="Magnetic%20Structures-I_files/image040.png" o:title=""/>
1943</v:shape><![endif]--><![if !vml]><img border=0 width=350 height=123
1944src="Magnetic%20Structures-I_files/image041.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1945
1946<p class=MsoNormal>This shows the magnetic atoms in this structure and allows
1947one to reject certain ones that are known to not be magnetic. If you press
1948Delete then this space group will be unmarked Keep in the Unit Cell List and
1949will not be available for a future selection. If you select No then nothing
1950will happen and you can find this space group in a subsequent try of Select
1951magnetic phase. This space group is the desired one; press <span class=GramE><b
1952style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1953mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1954minor-latin'>Yes</span></b></span> to select it. A File Dialog box will appear
1955offering a new project file name (<b style='mso-bidi-font-weight:normal'><span
1956style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1957mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La <span
1958class=SpellE>Mn</span> O3 mag_0.gpx</span></b>) for saving the project and
1959renaming it. It will be in the same directory as the original one (LaMnO3 <span
1960class=SpellE>base.gpx</span>). Press <b style='mso-bidi-font-weight:normal'><span
1961style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1962mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>;
1963the new project will be opened to the General tab for magnetic phase just
1964created.</p>
1965
1966<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1967 id="Picture_x0020_17" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:357pt;
1968 height:232.5pt;visibility:visible;mso-wrap-style:square'>
1969 <v:imagedata src="Magnetic%20Structures-I_files/image042.png" o:title=""/>
1970</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=310
1971src="Magnetic%20Structures-I_files/image043.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1972
1973<p class=MsoNormal>The phase is named with “mag_0” appended to the end, the
1974phase type is magnetic and there are magnetic spin operator selections part way
1975down the page. These are properly set for the chosen magnetic space group <span
1976class=SpellE>Pn’ma</span>’ as “red”<span class=GramE>, ”</span>black”, ”red”. You
1977also can see the <span class=SpellE>Lande</span>’ g factor can be changed if
1978needed and it only contains the <span class=SpellE>Mn</span> atom. Notice that
1979the base project is unchanged (and closed) in this process. That allows you to
1980go back to it to try another magnetic phase if necessary (in this case the <span
1981class=SpellE>Pnma</span> phase). First, let’s explore the <span class=SpellE>Pn’ma</span>’
1982magnetic structure.</p>
1983
1984<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1985
1986<h3>Step 7. Solving the magnetic structure</h3>
1987
1988<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l3 level1 lfo7'><![if !supportLists]><span
1989style='mso-fareast-font-family:Cambria;mso-fareast-theme-font:major-latin;
1990mso-bidi-font-family:Cambria;mso-bidi-theme-font:major-latin'><span
1991style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
1992</span></span></span><![endif]>Test the <span class=SpellE>Pn’ma</span>’ model<o:p></o:p></h4>
1993
1994<p class=MsoNormal>So now we have one or maybe two spin arrangements to
1995consider, <span class=SpellE>Pn’ma</span>’ and possibly <span class=SpellE>Pnma</span>,
1996but we do not know the magnetic moment components, <span class=SpellE>Mx</span>,
1997My &amp; <span class=SpellE>Mz</span>. However, since the 1<sup>st </sup>reflection
1998(the 010) is magnetic and strong, it is likely that the value of <span
1999class=GramE>My=</span>0. We can force this (to avoid refinement problems) by
2000making a ‘hold’ on its value. Select the <b style='mso-bidi-font-weight:normal'><span
2001style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2002mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
2003item from the GSAS-II tree; it will show the constraints generated when the
2004magnetic phase was made<o:p></o:p></p>
2005
2006<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2007
2008<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2009 id="Picture_x0020_35" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:361.5pt;
2010 height:210.75pt;visibility:visible;mso-wrap-style:square'>
2011 <v:imagedata src="Magnetic%20Structures-I_files/image044.png" o:title=""/>
2012</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=281
2013src="Magnetic%20Structures-I_files/image045.gif" v:shapes="Picture_x0020_35"><![endif]></span></p>
2014
2015<p class=MsoNormal>Under the <b style='mso-bidi-font-weight:normal'><span
2016style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2017mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit <span
2018class=SpellE>Costr</span>.</span></b> <span class=GramE>menu</span> item do <b
2019style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2020mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2021minor-latin'>Add hold</span></b>; a Hold phase variable window will appear<o:p></o:p></p>
2022
2023<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2024 id="Picture_x0020_19" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:361.5pt;
2025 height:175.5pt;visibility:visible;mso-wrap-style:square'>
2026 <v:imagedata src="Magnetic%20Structures-I_files/image046.png" o:title=""/>
2027</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=234
2028src="Magnetic%20Structures-I_files/image047.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
2029
2030<p class=MsoNormal>This can be simplified by putting <span class=GramE>My</span>
2031in the Name Filter box</p>
2032
2033<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2034 id="Picture_x0020_20" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:361.5pt;
2035 height:175.5pt;visibility:visible;mso-wrap-style:square'>
2036 <v:imagedata src="Magnetic%20Structures-I_files/image048.png" o:title=""/>
2037</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=234
2038src="Magnetic%20Structures-I_files/image049.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
2039
2040<p class=MsoNormal>Select the entry and press OK; the constraint window will
2041show the Hold at the bottom of the list.</p>
2042
2043<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2044 id="Picture_x0020_36" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:363.75pt;
2045 height:252.75pt;visibility:visible;mso-wrap-style:square'>
2046 <v:imagedata src="Magnetic%20Structures-I_files/image050.png" o:title=""/>
2047</v:shape><![endif]--><![if !vml]><img border=0 width=485 height=337
2048src="Magnetic%20Structures-I_files/image051.gif" v:shapes="Picture_x0020_36"><![endif]></span></p>
2049
2050<p class=MsoNormal>Now return to phases and select <b style='mso-bidi-font-weight:
2051normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2052minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La
2053<span class=SpellE>Mn</span> O3 mag_0</span></b> and the <b style='mso-bidi-font-weight:
2054normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2055minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2056tab; you should see<o:p></o:p></p>
2057
2058<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2059 id="Picture_x0020_22" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:362.25pt;
2060 height:80.25pt;visibility:visible;mso-wrap-style:square'>
2061 <v:imagedata src="Magnetic%20Structures-I_files/image052.png" o:title=""/>
2062</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=107
2063src="Magnetic%20Structures-I_files/image053.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
2064
2065<p class=MsoNormal>The least squares will not begin a refinement of <span
2066class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span> starting from zero
2067since either +/- values are equally possible; the result will be a singularity.
2068So these values must be offset so set them to <b style='mso-bidi-font-weight:
2069normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2070minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
2071each. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2072mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2073minor-latin'>Calculate/Refine</span></b>; the refinement will quickly converge
2074to <span class=SpellE>Rwp</span> ~14% and the powder plot will look like<o:p></o:p></p>
2075
2076<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2077 id="Picture_x0020_23" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:360.75pt;
2078 height:294pt;visibility:visible;mso-wrap-style:square'>
2079 <v:imagedata src="Magnetic%20Structures-I_files/image054.png" o:title=""/>
2080</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=392
2081src="Magnetic%20Structures-I_files/image055.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
2082
2083<p class=MsoNormal>There does not appear to be any calculated magnetic
2084intensity, but a zoom onto the low angle (10-30°2&#920;) part of the pattern
2085shows that some intensity was obtained, but clearly not enough.<o:p></o:p></p>
2086
2087<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2088 id="Picture_x0020_24" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:359.25pt;
2089 height:293.25pt;visibility:visible;mso-wrap-style:square'>
2090 <v:imagedata src="Magnetic%20Structures-I_files/image056.png" o:title=""/>
2091</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=391
2092src="Magnetic%20Structures-I_files/image057.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
2093
2094<p class=MsoNormal>The magnetic moment is clearly too small; to let the least
2095squares find a better value set the refine flag for <span class=SpellE>Mn</span>
2096to ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2097mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2098minor-latin'>M</span></b>’ and repeat <b style='mso-bidi-font-weight:normal'><span
2099style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2100mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2101The residual will drop considerably to <span class=SpellE>Rwp</span> ~8.7% and
2102the low angle portion will show a much better fit.<o:p></o:p></p>
2103
2104<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2105 id="Picture_x0020_25" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:361.5pt;
2106 height:294.75pt;visibility:visible;mso-wrap-style:square'>
2107 <v:imagedata src="Magnetic%20Structures-I_files/image058.png" o:title=""/>
2108</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=393
2109src="Magnetic%20Structures-I_files/image059.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
2110
2111<p class=MsoNormal>This appears to be a reasonable solution; a more complete
2112refinement still needs to be done, we’ll do that in the next step after we test
2113the <span class=SpellE>Pnma</span> model. <b style='mso-bidi-font-weight:normal'><span
2114style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2115mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
2116the project.</p>
2117
2118<h4 style='margin-left:.25in;text-indent:-.25in;mso-list:l3 level1 lfo7'><![if !supportLists]><span
2119style='mso-fareast-font-family:Cambria;mso-fareast-theme-font:major-latin;
2120mso-bidi-font-family:Cambria;mso-bidi-theme-font:major-latin'><span
2121style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
2122</span></span></span><![endif]>Test the <span class=SpellE>Pnma</span> model<o:p></o:p></h4>
2123
2124<p class=MsoNormal>Now reopen the original <b style='mso-bidi-font-weight:normal'><span
2125style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2126mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaMnO3 <span
2127class=SpellE>base.gpx</span></span></b> file saved at Step 5 above. Select <b
2128style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2129mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2130minor-latin'>La <span class=SpellE>Mn</span> O3</span></b> phase from the
2131GSAS-II tree; the General tab will be shown<o:p></o:p></p>
2132
2133<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2134 id="Picture_x0020_26" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:5in;
2135 height:204.75pt;visibility:visible;mso-wrap-style:square'>
2136 <v:imagedata src="Magnetic%20Structures-I_files/image060.png" o:title=""/>
2137</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=273
2138src="Magnetic%20Structures-I_files/image061.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
2139
2140<p class=MsoNormal>Do Compute/Select magnetic phase; the magnetic phase
2141selection box will show again</p>
2142
2143<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2144 id="Picture_x0020_27" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:171pt;
2145 height:2in;visibility:visible;mso-wrap-style:square'>
2146 <v:imagedata src="Magnetic%20Structures-I_files/image038.png" o:title=""/>
2147</v:shape><![endif]--><![if !vml]><img border=0 width=228 height=192
2148src="Magnetic%20Structures-I_files/image039.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
2149
2150<p class=MsoNormal>This time select the second choice “<span class=SpellE>Pnma</span>;
2151(<span class=SpellE>a<span class=GramE>,b,c</span></span>) + (0,0,0)” and press
2152OK. A new popup dialog will appear</p>
2153
2154<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2155 id="Picture_x0020_28" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:262.5pt;
2156 height:92.25pt;visibility:visible;mso-wrap-style:square'>
2157 <v:imagedata src="Magnetic%20Structures-I_files/image062.png" o:title=""/>
2158</v:shape><![endif]--><![if !vml]><img border=0 width=350 height=123
2159src="Magnetic%20Structures-I_files/image063.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
2160
2161<p class=MsoNormal>Press <span class=GramE>Yes</span> to select this choice; a
2162File dialog will appear with a new project name for this magnet model. Press
2163Save to select it; the projects will be exchanged opening the new magnetic one
2164showing the <span class=SpellE>Pnma</span> magnetic phase</p>
2165
2166<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2167 id="Picture_x0020_30" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363pt;
2168 height:233.25pt;visibility:visible;mso-wrap-style:square'>
2169 <v:imagedata src="Magnetic%20Structures-I_files/image064.png" o:title=""/>
2170</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=311
2171src="Magnetic%20Structures-I_files/image065.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
2172
2173<p class=MsoNormal>This time all the spin operators are “black”. Select the
2174Atoms tab</p>
2175
2176<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2177 id="Picture_x0020_33" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:5in;
2178 height:88.5pt;visibility:visible;mso-wrap-style:square'>
2179 <v:imagedata src="Magnetic%20Structures-I_files/image066.png" o:title=""/>
2180</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=118
2181src="Magnetic%20Structures-I_files/image067.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
2182
2183<p class=MsoNormal>Again, one can make the same argument that since the 010
2184reflection is large then <span class=GramE>My</span> should be zero. Set <span
2185class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2186"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2187minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span> &amp; <span
2188class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2189"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2190minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span> to 1.0 and
2191then go to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2192"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2193minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b> and set the
2194hold on <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2195mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2196minor-latin'>1:<span class=GramE>:AMy:0</span></span></b>. Do <b
2197style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2198mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2199minor-latin'>Calculate/Refine</span></b> from the main menu to do a Rietveld
2200refinement. It converges to <span class=SpellE>Rwp</span> ~14%; about the same
2201as the <span class=SpellE>Pn’ma</span>’ model at the same step. The low angle
2202portion of the powder pattern shows<o:p></o:p></p>
2203
2204<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2205 id="Picture_x0020_34" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:358.5pt;
2206 height:292.5pt;visibility:visible;mso-wrap-style:square'>
2207 <v:imagedata src="Magnetic%20Structures-I_files/image068.png" o:title=""/>
2208</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=390
2209src="Magnetic%20Structures-I_files/image069.gif" v:shapes="Picture_x0020_34"><![endif]></span></p>
2210
2211<p class=MsoNormal>There is intensity in the lowest angle reflection (the 010)
2212but not enough. Again we’ll try to refine the <span class=SpellE>Mx</span>
2213&amp; <span class=SpellE>Mz</span> components to see what happens. Set the
2214refine flag for <span class=SpellE>Mn</span> to ‘<b style='mso-bidi-font-weight:
2215normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2216minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>’
2217and repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:
2218"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2219minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>. The
2220residual will drop to <span class=SpellE>Rwp</span> ~10% and the low angle
2221portion will show a much better fit which is very similar, but slightly poorer
2222than the result from the <span class=SpellE>Pn’ma</span>’ model. To see how,
2223examine a slightly higher angle region (30-55°2&#920;) and compare it with the
2224same region for the plot for the <span class=SpellE>Pn’ma</span>’ model (you’ll
2225need2 instances of GSAS-II running to do this)<o:p></o:p></p>
2226
2227<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2228 id="Picture_x0020_37" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:353.25pt;
2229 height:120.75pt;visibility:visible;mso-wrap-style:square'>
2230 <v:imagedata src="Magnetic%20Structures-I_files/image070.png" o:title=""/>
2231</v:shape><![endif]--><![if !vml]><img border=0 width=471 height=161
2232src="Magnetic%20Structures-I_files/image071.gif" v:shapes="Picture_x0020_37"><![endif]></span></p>
2233
2234<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2235 id="Picture_x0020_38" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:357pt;
2236 height:113.25pt;visibility:visible;mso-wrap-style:square'>
2237 <v:imagedata src="Magnetic%20Structures-I_files/image072.png" o:title=""/>
2238</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=151
2239src="Magnetic%20Structures-I_files/image073.gif" v:shapes="Picture_x0020_38"><![endif]></span></p>
2240
2241<p class=MsoNormal>You can see in particular at the pair of peaks at 33.3 and
224234.4°2&#920; that are well fit by the <span class=SpellE>Pn’ma</span>’ model
2243and not by the <span class=SpellE>Pnma</span> one. On this basis the <span
2244class=SpellE>Pnma</span> model is rejected and the <span class=SpellE>Pn’ma</span>’
2245is selected as probably correct. NB: neither model produced any intensity for
2246the peak at ~15.69°2&#920;, so it is most likely to be from a minor
2247contaminating phase; we can either ignore it or exclude it in the final
2248refinements.<o:p></o:p></p>
2249
2250<h3>Step 8. Complete refinement of the <span class=SpellE>Pn’ma</span>’ model
2251for LaMnO<sub>3</sub><o:p></o:p></h3>
2252
2253<p class=MsoNormal>Reload the <b style='mso-bidi-font-weight:normal'><span
2254style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2255mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>La <span
2256class=SpellE>Mn</span> O3 mag_0.gpx</span></b> project file which should have
2257the <span class=SpellE>Pn’ma</span>’ model for the magnetic structure, and look
2258at the powder pattern to decide how to proceed to complete the refinement.<o:p></o:p></p>
2259
2260<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2261 id="Picture_x0020_39" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;
2262 height:282.75pt;visibility:visible;mso-wrap-style:square'>
2263 <v:imagedata src="Magnetic%20Structures-I_files/image074.png" o:title=""/>
2264</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=377
2265src="Magnetic%20Structures-I_files/image075.gif" v:shapes="Picture_x0020_39"><![endif]></span></p>
2266
2267<p class=MsoNormal>Looking at the plot, it would seem that the lattice
2268parameters and sample position need to be refined. It is important to remember
2269that if a parameter in one phase is varied then the corresponding one in the
2270other phase must also be varied, otherwise GSAS-II will report the error and
2271refuse to attempt the refinement. To set refinement of the lattice parameters,
2272bring up the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2273"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2274minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> tab for each
2275phase &amp; check the <b style='mso-bidi-font-weight:normal'><span
2276style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2277mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
2278cell</span></b> box for the lattice parameters. Then select <b
2279style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2280mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2281minor-latin'>Sample Parameters</span></b> for the PWDR entry<o:p></o:p></p>
2282
2283<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2284 id="Picture_x0020_40" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:358.5pt;
2285 height:225.75pt;visibility:visible;mso-wrap-style:square'>
2286 <v:imagedata src="Magnetic%20Structures-I_files/image076.png" o:title=""/>
2287</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=301
2288src="Magnetic%20Structures-I_files/image077.gif" v:shapes="Picture_x0020_40"><![endif]></span></p>
2289
2290<p class=MsoNormal>Since the scan covers a very wide range in 2<span
2291style='font-family:Symbol'>Q</span>, both sample displacements can be refined.
2292Check both <b style='mso-bidi-font-weight:normal'><span style='font-family:
2293"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2294minor-latin;mso-bidi-theme-font:minor-latin'>Sample X</span></b> and <b
2295style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2296mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2297minor-latin'>Y <span class=SpellE>displ</span></span></b> parameters. NB: if
2298the correct <b style='mso-bidi-font-weight:normal'><span style='font-family:
2299"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2300minor-latin;mso-bidi-theme-font:minor-latin'>Goniometer radius</span></b> (<b
2301style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2302mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2303minor-latin'>650</span></b>mm) is used, these displacements will be in microns.
2304Also, it would appear that the instrument parameters do not adequately describe
2305the anisotropic broadening of the lowest angle reflection so we will need to
2306include that. Select <b style='mso-bidi-font-weight:normal'><span
2307style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2308mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Instrument
2309Parameters</span></b> from the PWDR entry and check the <b style='mso-bidi-font-weight:
2310normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2311minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SH/L
2312Refine</span></b> box. Now do <b style='mso-bidi-font-weight:normal'><span
2313style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2314mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2315until convergence is achieved (i.e. <span class=SpellE>Rwp</span> doesn’t
2316change). This will be 2-3 times. When done my <span class=SpellE>Rwp</span> was
2317~6.6% with a nice clean plot<o:p></o:p></p>
2318
2319<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2320 id="Picture_x0020_41" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:358.5pt;
2321 height:282pt;visibility:visible;mso-wrap-style:square'>
2322 <v:imagedata src="Magnetic%20Structures-I_files/image078.png" o:title=""/>
2323</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=376
2324src="Magnetic%20Structures-I_files/image079.gif" v:shapes="Picture_x0020_41"><![endif]></span></p>
2325
2326<p class=MsoNormal>Now we can add refinement of the atom positions and thermal
2327parameters. For <b style='mso-bidi-font-weight:normal'><span style='font-family:
2328"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2329minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab of the <b
2330style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2331mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2332minor-latin'>La <span class=SpellE>Mn</span> O3</span></b> phase, double click
2333the refine column heading and select <b style='mso-bidi-font-weight:normal'><span
2334style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2335mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>X</span></b>
2336&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2337mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2338minor-latin'>U.</span></b> This will add these parameters as allowed by
2339symmetry to the refinement. Now go to the <b style='mso-bidi-font-weight:normal'><span
2340style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2341mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2342tab for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2343mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2344minor-latin'>La <span class=SpellE>Mn</span> O3 mag_0</span></b> and double
2345click the refine tab. Select <b style='mso-bidi-font-weight:normal'><span
2346style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2347mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U</span></b>
2348&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2349mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2350minor-latin'>M</span></b>; the <span class=SpellE>Uiso</span> for the <span
2351class=SpellE>Mn</span> atom is tied via a constraint to the <span class=SpellE>Mn</span>
2352in the other phase. Now select <b style='mso-bidi-font-weight:normal'><span
2353style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2354mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
2355from the <b style='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'>PWDR</span></b> entry and increase the number of terms to <b
2358style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2359mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2360minor-latin'>6</span></b>. Finally do <b style='mso-bidi-font-weight:normal'><span
2361style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2362mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2363until convergence (1-2 times). My <span class=SpellE>Rwp</span> was 6.29% with
2364a plot that is hardly different from the previous one. If you press the ‘<b
2365style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2366mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2367minor-latin'>W’</span></b> key with the focus on the plot, GSAS-II will show
2368the weighted difference curve below the plot</p>
2369
2370<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2371 id="Picture_x0020_42" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:357.75pt;
2372 height:281.25pt;visibility:visible;mso-wrap-style:square'>
2373 <v:imagedata src="Magnetic%20Structures-I_files/image080.png" o:title=""/>
2374</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=375
2375src="Magnetic%20Structures-I_files/image081.gif" v:shapes="Picture_x0020_42"><![endif]></span><o:p></o:p></p>
2376
2377<p class=MsoNormal>This curve shows a couple of peaks which are from some contaminating
2378phase, but otherwise the fluctuations are mostly within 2<span
2379style='font-family:Symbol'>s</span> of zero. Finally examine the magnetic
2380moment components of the <span class=SpellE>Mn</span> atom; <span class=SpellE><b
2381style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2382mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2383minor-latin'>Mz</span></b></span> is close to zero. It is likely that it is
2384zero; set it to <b style='mso-bidi-font-weight:normal'><span style='font-family:
2385"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2386minor-latin;mso-bidi-theme-font:minor-latin'>zero</span></b> and then go to the
2387<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2388mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2389minor-latin'>Constraints</span></b> tree item and add a hold for 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'>1::AMz:0</span></b> parameter so that it stays at zero. Repeat the
2393refinement; the residual is unchanged showing that setting <span class=SpellE>Mz</span>=0
2394was a valid assumption.<o:p></o:p></p>
2395
2396<h3>Step 9. Draw the magnetic structure of LaMnO<sub>3</sub><o:p></o:p></h3>
2397
2398<p class=MsoNormal>To draw the magnetic structure select the <b
2399style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2400mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2401minor-latin'>Draw Atoms</span></b> tab for the magnetic phase. The table will
2402have a single line matching that of the Atoms table with a few extra columns.<o:p></o:p></p>
2403
2404<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2405 id="Picture_x0020_43" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:362.25pt;
2406 height:84.75pt;visibility:visible;mso-wrap-style:square'>
2407 <v:imagedata src="Magnetic%20Structures-I_files/image082.png" o:title=""/>
2408</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=113
2409src="Magnetic%20Structures-I_files/image083.gif" v:shapes="Picture_x0020_43"><![endif]></span></p>
2410
2411<p class=MsoNormal>The plot will show one atom with magnetic moment. Select the
2412atom in the table and do <span class=GramE><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'>Edit</span></b></span><b
2415style='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'> Figure/Fill unit cell</span></b>. The table will show additional
2418entries<o:p></o:p></p>
2419
2420<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2421 id="Picture_x0020_44" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:359.25pt;
2422 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2423 <v:imagedata src="Magnetic%20Structures-I_files/image084.png" o:title=""/>
2424</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=186
2425src="Magnetic%20Structures-I_files/image085.gif" v:shapes="Picture_x0020_44"><![endif]></span></p>
2426
2427<p class=MsoNormal>The plot will show the unit cell contents of <span
2428class=SpellE>Mn</span> atoms each with its magnetic moment; they are arranged
2429in layers along the b-axis with the <span class=GramE>moments</span>
2430antiparallel from one layer to the next. Some are red indicating that a spin
2431inversion operation was applied for that atom moment.<o:p></o:p></p>
2432
2433<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2434 id="Picture_x0020_45" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:5in;
2435 height:368.25pt;visibility:visible;mso-wrap-style:square'>
2436 <v:imagedata src="Magnetic%20Structures-I_files/image086.png" o:title=""/>
2437</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
2438src="Magnetic%20Structures-I_files/image087.gif" v:shapes="Picture_x0020_45"><![endif]></span></p>
2439
2440<p class=MsoNormal>This completes this tutorial; you can save the project if
2441you wish &amp; close GSAS-II.</p>
2442
2443<p class=MsoNormal>If desired you can try to repeat the 2<sup>nd</sup> example,
2444Ca doped LaMnO<sub>3</sub>, which is a ferromagnet. There is no cell doubling
2445so again the propagation vector <span class=SpellE>kx<span class=GramE>,ky,kz</span></span>
2446is zero and k-SUBGROUPSMAG will suggest 4 possible magnetic space groups for <span
2447class=SpellE>Pbnm</span> (a nonstandard variant of <span class=SpellE>Pnma</span>)
2448which have an even number of spin inversions. There is no distinction based on
2449reflection extinctions, so all 4 must be tested as shown in the Simple Magnetic
2450Structures tutorial. You should find as before that the <span class=SpellE>Pbn’m</span>’
2451magnetic structure is the best one.<o:p></o:p></p>
2452
2453<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2454
2455</div>
2456
2457</body>
2458
2459</html>
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