source: Tutorials/Magnetic-IV/Magnetic-IV.htm @ 4633

Last change on this file since 4633 was 4457, checked in by toby, 18 months ago

add data link to tutorials

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411  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
412  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
413  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
414  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
415  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
416  <w:LsdException Locked="false" Priority="34" QFormat="true"
417   Name="List Paragraph"/>
418  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
419  <w:LsdException Locked="false" Priority="30" QFormat="true"
420   Name="Intense Quote"/>
421  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
422  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
423  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
424  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
425  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
426  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
427  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
428  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
429  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
430  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
431  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
432  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
433  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
434  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
435  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
436  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
439  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
440  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
441  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
442  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
443  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
444  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
445  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
446  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
447  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
448  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
449  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
450  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
453  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
454  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
455  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
456  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
457  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
458  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
459  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
460  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
461  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
462  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
463  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
464  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
467  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
468  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
469  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
470  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
471  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
472  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
473  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
474  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
475  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
476  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
477  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
478  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
481  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
482  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
483  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
484  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
485  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
486  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
487  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
488  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
489  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
490  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
491  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
492  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
495  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
496  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
497  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
498  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
499  <w:LsdException Locked="false" Priority="19" QFormat="true"
500   Name="Subtle Emphasis"/>
501  <w:LsdException Locked="false" Priority="21" QFormat="true"
502   Name="Intense Emphasis"/>
503  <w:LsdException Locked="false" Priority="31" QFormat="true"
504   Name="Subtle Reference"/>
505  <w:LsdException Locked="false" Priority="32" QFormat="true"
506   Name="Intense Reference"/>
507  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
508  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
509   UnhideWhenUsed="true" Name="Bibliography"/>
510  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
511   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
512  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
513  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
514  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
515  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
516  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
517  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
518  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
519  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
520  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
521  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
522  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
523  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
524  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
525  <w:LsdException Locked="false" Priority="46"
526   Name="Grid Table 1 Light Accent 1"/>
527  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
528  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
529  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
530  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
531  <w:LsdException Locked="false" Priority="51"
532   Name="Grid Table 6 Colorful Accent 1"/>
533  <w:LsdException Locked="false" Priority="52"
534   Name="Grid Table 7 Colorful Accent 1"/>
535  <w:LsdException Locked="false" Priority="46"
536   Name="Grid Table 1 Light Accent 2"/>
537  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
538  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
539  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
540  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
541  <w:LsdException Locked="false" Priority="51"
542   Name="Grid Table 6 Colorful Accent 2"/>
543  <w:LsdException Locked="false" Priority="52"
544   Name="Grid Table 7 Colorful Accent 2"/>
545  <w:LsdException Locked="false" Priority="46"
546   Name="Grid Table 1 Light Accent 3"/>
547  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
548  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
549  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
550  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
551  <w:LsdException Locked="false" Priority="51"
552   Name="Grid Table 6 Colorful Accent 3"/>
553  <w:LsdException Locked="false" Priority="52"
554   Name="Grid Table 7 Colorful Accent 3"/>
555  <w:LsdException Locked="false" Priority="46"
556   Name="Grid Table 1 Light Accent 4"/>
557  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
558  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
559  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
560  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
561  <w:LsdException Locked="false" Priority="51"
562   Name="Grid Table 6 Colorful Accent 4"/>
563  <w:LsdException Locked="false" Priority="52"
564   Name="Grid Table 7 Colorful Accent 4"/>
565  <w:LsdException Locked="false" Priority="46"
566   Name="Grid Table 1 Light Accent 5"/>
567  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
568  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
569  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
570  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
571  <w:LsdException Locked="false" Priority="51"
572   Name="Grid Table 6 Colorful Accent 5"/>
573  <w:LsdException Locked="false" Priority="52"
574   Name="Grid Table 7 Colorful Accent 5"/>
575  <w:LsdException Locked="false" Priority="46"
576   Name="Grid Table 1 Light Accent 6"/>
577  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
578  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
579  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
580  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
581  <w:LsdException Locked="false" Priority="51"
582   Name="Grid Table 6 Colorful Accent 6"/>
583  <w:LsdException Locked="false" Priority="52"
584   Name="Grid Table 7 Colorful Accent 6"/>
585  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
586  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
587  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
588  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
589  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
590  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
591  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
592  <w:LsdException Locked="false" Priority="46"
593   Name="List Table 1 Light Accent 1"/>
594  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
595  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
596  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
597  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
598  <w:LsdException Locked="false" Priority="51"
599   Name="List Table 6 Colorful Accent 1"/>
600  <w:LsdException Locked="false" Priority="52"
601   Name="List Table 7 Colorful Accent 1"/>
602  <w:LsdException Locked="false" Priority="46"
603   Name="List Table 1 Light Accent 2"/>
604  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
605  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
606  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
607  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
608  <w:LsdException Locked="false" Priority="51"
609   Name="List Table 6 Colorful Accent 2"/>
610  <w:LsdException Locked="false" Priority="52"
611   Name="List Table 7 Colorful Accent 2"/>
612  <w:LsdException Locked="false" Priority="46"
613   Name="List Table 1 Light Accent 3"/>
614  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
615  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
616  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
617  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
618  <w:LsdException Locked="false" Priority="51"
619   Name="List Table 6 Colorful Accent 3"/>
620  <w:LsdException Locked="false" Priority="52"
621   Name="List Table 7 Colorful Accent 3"/>
622  <w:LsdException Locked="false" Priority="46"
623   Name="List Table 1 Light Accent 4"/>
624  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
625  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
626  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
627  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
628  <w:LsdException Locked="false" Priority="51"
629   Name="List Table 6 Colorful Accent 4"/>
630  <w:LsdException Locked="false" Priority="52"
631   Name="List Table 7 Colorful Accent 4"/>
632  <w:LsdException Locked="false" Priority="46"
633   Name="List Table 1 Light Accent 5"/>
634  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
635  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
636  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
637  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
638  <w:LsdException Locked="false" Priority="51"
639   Name="List Table 6 Colorful Accent 5"/>
640  <w:LsdException Locked="false" Priority="52"
641   Name="List Table 7 Colorful Accent 5"/>
642  <w:LsdException Locked="false" Priority="46"
643   Name="List Table 1 Light Accent 6"/>
644  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
645  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
646  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
647  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
648  <w:LsdException Locked="false" Priority="51"
649   Name="List Table 6 Colorful Accent 6"/>
650  <w:LsdException Locked="false" Priority="52"
651   Name="List Table 7 Colorful Accent 6"/>
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783a:link, span.MsoHyperlink
784        {mso-style-noshow:yes;
785        mso-style-priority:99;
786        color:blue;
787        text-decoration:underline;
788        text-underline:single;}
789a:visited, span.MsoHyperlinkFollowed
790        {mso-style-noshow:yes;
791        mso-style-priority:99;
792        color:purple;
793        text-decoration:underline;
794        text-underline:single;}
795p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
796        {mso-style-noshow:yes;
797        mso-style-priority:99;
798        mso-style-link:"Document Map Char";
799        margin:0in;
800        margin-bottom:.0001pt;
801        mso-pagination:widow-orphan;
802        font-size:8.0pt;
803        font-family:"Tahoma",sans-serif;
804        mso-fareast-font-family:"Times New Roman";
805        mso-fareast-theme-font:minor-fareast;}
806p
807        {mso-style-noshow:yes;
808        mso-style-priority:99;
809        mso-margin-top-alt:auto;
810        margin-right:0in;
811        mso-margin-bottom-alt:auto;
812        margin-left:0in;
813        mso-pagination:widow-orphan;
814        font-size:12.0pt;
815        font-family:"Times New Roman",serif;
816        mso-fareast-font-family:"Times New Roman";
817        mso-fareast-theme-font:minor-fareast;}
818pre
819        {mso-style-noshow:yes;
820        mso-style-priority:99;
821        mso-style-link:"HTML Preformatted Char";
822        margin:0in;
823        margin-bottom:.0001pt;
824        mso-pagination:widow-orphan;
825        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
826        font-size:10.0pt;
827        font-family:"Courier New";
828        mso-fareast-font-family:"Times New Roman";}
829p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
830        {mso-style-noshow:yes;
831        mso-style-priority:99;
832        mso-style-link:"Balloon Text Char";
833        margin:0in;
834        margin-bottom:.0001pt;
835        mso-pagination:widow-orphan;
836        font-size:8.0pt;
837        font-family:"Tahoma",sans-serif;
838        mso-fareast-font-family:"Times New Roman";
839        mso-fareast-theme-font:minor-fareast;}
840span.MsoPlaceholderText
841        {mso-style-noshow:yes;
842        mso-style-priority:99;
843        mso-style-unhide:no;
844        color:gray;}
845p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
846        {mso-style-noshow:yes;
847        mso-style-priority:1;
848        mso-style-unhide:no;
849        mso-style-qformat:yes;
850        mso-style-parent:"";
851        margin:0in;
852        margin-bottom:.0001pt;
853        mso-pagination:widow-orphan;
854        font-size:12.0pt;
855        font-family:"Times New Roman",serif;
856        mso-fareast-font-family:"Times New Roman";
857        mso-fareast-theme-font:minor-fareast;}
858p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
859        {mso-style-noshow:yes;
860        mso-style-priority:34;
861        mso-style-unhide:no;
862        mso-style-qformat:yes;
863        margin-top:0in;
864        margin-right:0in;
865        margin-bottom:0in;
866        margin-left:.5in;
867        margin-bottom:.0001pt;
868        mso-add-space:auto;
869        mso-pagination:widow-orphan;
870        font-size:12.0pt;
871        font-family:"Times New Roman",serif;
872        mso-fareast-font-family:"Times New Roman";
873        mso-fareast-theme-font:minor-fareast;}
874p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
875        {mso-style-noshow:yes;
876        mso-style-priority:34;
877        mso-style-unhide:no;
878        mso-style-qformat:yes;
879        mso-style-type:export-only;
880        margin-top:0in;
881        margin-right:0in;
882        margin-bottom:0in;
883        margin-left:.5in;
884        margin-bottom:.0001pt;
885        mso-add-space:auto;
886        mso-pagination:widow-orphan;
887        font-size:12.0pt;
888        font-family:"Times New Roman",serif;
889        mso-fareast-font-family:"Times New Roman";
890        mso-fareast-theme-font:minor-fareast;}
891p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
892        {mso-style-noshow:yes;
893        mso-style-priority:34;
894        mso-style-unhide:no;
895        mso-style-qformat:yes;
896        mso-style-type:export-only;
897        margin-top:0in;
898        margin-right:0in;
899        margin-bottom:0in;
900        margin-left:.5in;
901        margin-bottom:.0001pt;
902        mso-add-space:auto;
903        mso-pagination:widow-orphan;
904        font-size:12.0pt;
905        font-family:"Times New Roman",serif;
906        mso-fareast-font-family:"Times New Roman";
907        mso-fareast-theme-font:minor-fareast;}
908p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
909        {mso-style-noshow:yes;
910        mso-style-priority:34;
911        mso-style-unhide:no;
912        mso-style-qformat:yes;
913        mso-style-type:export-only;
914        margin-top:0in;
915        margin-right:0in;
916        margin-bottom:0in;
917        margin-left:.5in;
918        margin-bottom:.0001pt;
919        mso-add-space:auto;
920        mso-pagination:widow-orphan;
921        font-size:12.0pt;
922        font-family:"Times New Roman",serif;
923        mso-fareast-font-family:"Times New Roman";
924        mso-fareast-theme-font:minor-fareast;}
925span.MsoIntenseReference
926        {mso-style-priority:32;
927        mso-style-unhide:no;
928        mso-style-qformat:yes;
929        font-variant:small-caps;
930        color:#C0504D;
931        mso-themecolor:accent2;
932        letter-spacing:.25pt;
933        font-weight:bold;
934        text-decoration:underline;
935        text-underline:single;}
936span.Heading1Char
937        {mso-style-name:"Heading 1 Char";
938        mso-style-priority:9;
939        mso-style-unhide:no;
940        mso-style-locked:yes;
941        mso-style-link:"Heading 1";
942        mso-ansi-font-size:24.0pt;
943        mso-bidi-font-size:24.0pt;
944        font-family:"Times New Roman",serif;
945        mso-ascii-font-family:"Times New Roman";
946        mso-fareast-font-family:"Times New Roman";
947        mso-fareast-theme-font:minor-fareast;
948        mso-hansi-font-family:"Times New Roman";
949        mso-bidi-font-family:"Times New Roman";
950        mso-font-kerning:18.0pt;
951        font-weight:bold;}
952span.Heading2Char
953        {mso-style-name:"Heading 2 Char";
954        mso-style-noshow:yes;
955        mso-style-priority:9;
956        mso-style-unhide:no;
957        mso-style-locked:yes;
958        mso-style-link:"Heading 2";
959        mso-ansi-font-size:18.0pt;
960        mso-bidi-font-size:18.0pt;
961        font-family:"Times New Roman",serif;
962        mso-ascii-font-family:"Times New Roman";
963        mso-fareast-font-family:"Times New Roman";
964        mso-fareast-theme-font:minor-fareast;
965        mso-hansi-font-family:"Times New Roman";
966        mso-bidi-font-family:"Times New Roman";
967        font-weight:bold;}
968span.Heading3Char
969        {mso-style-name:"Heading 3 Char";
970        mso-style-noshow:yes;
971        mso-style-priority:9;
972        mso-style-unhide:no;
973        mso-style-locked:yes;
974        mso-style-link:"Heading 3";
975        mso-ansi-font-size:13.5pt;
976        mso-bidi-font-size:13.5pt;
977        font-family:"Times New Roman",serif;
978        mso-ascii-font-family:"Times New Roman";
979        mso-fareast-font-family:"Times New Roman";
980        mso-fareast-theme-font:minor-fareast;
981        mso-hansi-font-family:"Times New Roman";
982        mso-bidi-font-family:"Times New Roman";
983        font-weight:bold;}
984span.Heading4Char
985        {mso-style-name:"Heading 4 Char";
986        mso-style-noshow:yes;
987        mso-style-priority:9;
988        mso-style-unhide:no;
989        mso-style-locked:yes;
990        mso-style-link:"Heading 4";
991        mso-ansi-font-size:13.0pt;
992        mso-bidi-font-size:13.0pt;
993        font-family:"Cambria",serif;
994        mso-ascii-font-family:Cambria;
995        mso-ascii-theme-font:major-latin;
996        mso-fareast-font-family:"Times New Roman";
997        mso-fareast-theme-font:major-fareast;
998        mso-hansi-font-family:Cambria;
999        mso-hansi-theme-font:major-latin;
1000        mso-bidi-font-family:"Times New Roman";
1001        mso-bidi-theme-font:major-bidi;
1002        color:#4F81BD;
1003        mso-themecolor:accent1;
1004        font-weight:bold;
1005        font-style:italic;}
1006span.Heading5Char
1007        {mso-style-name:"Heading 5 Char";
1008        mso-style-noshow:yes;
1009        mso-style-priority:9;
1010        mso-style-unhide:no;
1011        mso-style-locked:yes;
1012        mso-style-link:"Heading 5";
1013        mso-ansi-font-size:12.0pt;
1014        mso-bidi-font-size:12.0pt;
1015        font-family:"Times New Roman",serif;
1016        mso-ascii-font-family:"Times New Roman";
1017        mso-fareast-font-family:"Times New Roman";
1018        mso-fareast-theme-font:minor-fareast;
1019        mso-hansi-font-family:"Times New Roman";
1020        mso-bidi-font-family:"Times New Roman";
1021        color:#4F4FFF;
1022        font-weight:bold;}
1023span.HTMLPreformattedChar
1024        {mso-style-name:"HTML Preformatted Char";
1025        mso-style-noshow:yes;
1026        mso-style-priority:99;
1027        mso-style-unhide:no;
1028        mso-style-locked:yes;
1029        mso-style-link:"HTML Preformatted";
1030        mso-ansi-font-size:10.0pt;
1031        mso-bidi-font-size:10.0pt;
1032        font-family:"Courier New";
1033        mso-ascii-font-family:"Courier New";
1034        mso-fareast-font-family:"Times New Roman";
1035        mso-hansi-font-family:"Courier New";
1036        mso-bidi-font-family:"Courier New";}
1037p.msonormal0, li.msonormal0, div.msonormal0
1038        {mso-style-name:msonormal;
1039        mso-style-noshow:yes;
1040        mso-style-priority:99;
1041        mso-style-unhide:no;
1042        mso-margin-top-alt:auto;
1043        margin-right:0in;
1044        mso-margin-bottom-alt:auto;
1045        margin-left:0in;
1046        mso-pagination:widow-orphan;
1047        font-size:12.0pt;
1048        font-family:"Times New Roman",serif;
1049        mso-fareast-font-family:"Times New Roman";
1050        mso-fareast-theme-font:minor-fareast;}
1051span.DocumentMapChar
1052        {mso-style-name:"Document Map Char";
1053        mso-style-noshow:yes;
1054        mso-style-priority:99;
1055        mso-style-unhide:no;
1056        mso-style-locked:yes;
1057        mso-style-link:"Document Map";
1058        mso-ansi-font-size:8.0pt;
1059        mso-bidi-font-size:8.0pt;
1060        font-family:"Tahoma",sans-serif;
1061        mso-ascii-font-family:Tahoma;
1062        mso-fareast-font-family:"Times New Roman";
1063        mso-fareast-theme-font:minor-fareast;
1064        mso-hansi-font-family:Tahoma;
1065        mso-bidi-font-family:Tahoma;}
1066span.BalloonTextChar
1067        {mso-style-name:"Balloon Text Char";
1068        mso-style-noshow:yes;
1069        mso-style-priority:99;
1070        mso-style-unhide:no;
1071        mso-style-locked:yes;
1072        mso-style-link:"Balloon Text";
1073        mso-ansi-font-size:8.0pt;
1074        mso-bidi-font-size:8.0pt;
1075        font-family:"Tahoma",sans-serif;
1076        mso-ascii-font-family:Tahoma;
1077        mso-fareast-font-family:"Times New Roman";
1078        mso-fareast-theme-font:minor-fareast;
1079        mso-hansi-font-family:Tahoma;
1080        mso-bidi-font-family:Tahoma;}
1081span.GSAS-IItextChar
1082        {mso-style-name:"GSAS-II text Char";
1083        mso-style-unhide:no;
1084        mso-style-locked:yes;
1085        mso-style-link:"GSAS-II text";
1086        mso-ansi-font-size:12.0pt;
1087        mso-bidi-font-size:12.0pt;
1088        font-family:"Times New Roman",serif;
1089        mso-ascii-font-family:"Times New Roman";
1090        mso-fareast-font-family:"Times New Roman";
1091        mso-fareast-theme-font:minor-fareast;
1092        mso-hansi-font-family:"Times New Roman";
1093        mso-bidi-font-family:Calibri;
1094        mso-bidi-theme-font:minor-latin;
1095        font-weight:bold;
1096        mso-bidi-font-weight:normal;}
1097p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1098        {mso-style-name:"GSAS-II text";
1099        mso-style-noshow:yes;
1100        mso-style-priority:99;
1101        mso-style-unhide:no;
1102        mso-style-link:"GSAS-II text Char";
1103        margin:0in;
1104        margin-bottom:.0001pt;
1105        mso-pagination:widow-orphan;
1106        font-size:12.0pt;
1107        font-family:"Calibri",sans-serif;
1108        mso-ascii-font-family:Calibri;
1109        mso-ascii-theme-font:minor-latin;
1110        mso-fareast-font-family:"Times New Roman";
1111        mso-fareast-theme-font:minor-fareast;
1112        mso-hansi-font-family:Calibri;
1113        mso-hansi-theme-font:minor-latin;
1114        mso-bidi-font-family:Calibri;
1115        mso-bidi-theme-font:minor-latin;
1116        font-weight:bold;
1117        mso-bidi-font-weight:normal;}
1118span.SpellE
1119        {mso-style-name:"";
1120        mso-spl-e:yes;}
1121span.GramE
1122        {mso-style-name:"";
1123        mso-gram-e:yes;}
1124.MsoChpDefault
1125        {mso-style-type:export-only;
1126        mso-default-props:yes;
1127        font-size:10.0pt;
1128        mso-ansi-font-size:10.0pt;
1129        mso-bidi-font-size:10.0pt;
1130        font-family:"Calibri",sans-serif;
1131        mso-ascii-font-family:Calibri;
1132        mso-ascii-theme-font:minor-latin;
1133        mso-fareast-font-family:Calibri;
1134        mso-fareast-theme-font:minor-latin;
1135        mso-hansi-font-family:Calibri;
1136        mso-hansi-theme-font:minor-latin;
1137        mso-bidi-font-family:"Times New Roman";
1138        mso-bidi-theme-font:minor-bidi;}
1139@page WordSection1
1140        {size:8.5in 11.0in;
1141        margin:1.0in 1.0in 1.0in 1.0in;
1142        mso-header-margin:.5in;
1143        mso-footer-margin:.5in;
1144        mso-paper-source:0;}
1145div.WordSection1
1146        {page:WordSection1;}
1147 /* List Definitions */
1148 @list l0
1149        {mso-list-id:202911215;
1150        mso-list-type:hybrid;
1151        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1152@list l0:level1
1153        {mso-level-tab-stop:none;
1154        mso-level-number-position:left;
1155        text-indent:-.25in;}
1156@list l0:level2
1157        {mso-level-number-format:alpha-lower;
1158        mso-level-tab-stop:none;
1159        mso-level-number-position:left;
1160        text-indent:-.25in;}
1161@list l0:level3
1162        {mso-level-number-format:roman-lower;
1163        mso-level-tab-stop:none;
1164        mso-level-number-position:right;
1165        text-indent:-9.0pt;}
1166@list l0:level4
1167        {mso-level-tab-stop:none;
1168        mso-level-number-position:left;
1169        text-indent:-.25in;}
1170@list l0:level5
1171        {mso-level-number-format:alpha-lower;
1172        mso-level-tab-stop:none;
1173        mso-level-number-position:left;
1174        text-indent:-.25in;}
1175@list l0:level6
1176        {mso-level-number-format:roman-lower;
1177        mso-level-tab-stop:none;
1178        mso-level-number-position:right;
1179        text-indent:-9.0pt;}
1180@list l0:level7
1181        {mso-level-tab-stop:none;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l0:level8
1185        {mso-level-number-format:alpha-lower;
1186        mso-level-tab-stop:none;
1187        mso-level-number-position:left;
1188        text-indent:-.25in;}
1189@list l0:level9
1190        {mso-level-number-format:roman-lower;
1191        mso-level-tab-stop:none;
1192        mso-level-number-position:right;
1193        text-indent:-9.0pt;}
1194@list l1
1195        {mso-list-id:479426291;
1196        mso-list-type:hybrid;
1197        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1198@list l1:level1
1199        {mso-level-tab-stop:none;
1200        mso-level-number-position:left;
1201        text-indent:-.25in;}
1202@list l1:level2
1203        {mso-level-number-format:alpha-lower;
1204        mso-level-tab-stop:none;
1205        mso-level-number-position:left;
1206        text-indent:-.25in;}
1207@list l1:level3
1208        {mso-level-number-format:roman-lower;
1209        mso-level-tab-stop:none;
1210        mso-level-number-position:right;
1211        text-indent:-9.0pt;}
1212@list l1:level4
1213        {mso-level-tab-stop:none;
1214        mso-level-number-position:left;
1215        text-indent:-.25in;}
1216@list l1:level5
1217        {mso-level-number-format:alpha-lower;
1218        mso-level-tab-stop:none;
1219        mso-level-number-position:left;
1220        text-indent:-.25in;}
1221@list l1:level6
1222        {mso-level-number-format:roman-lower;
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1275</head>
1276
1277<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1278
1279<div class=WordSection1>
1280
1281<h1>Magnetic Structures in GSAS-II - Tutorial IV</h1>
1282
1283<P><BL>
1284  <LI>Exercise files are found <A href="./data/" target="_blank">here</a>
1285</BL></P><P></P>
1286
1287<h2>Introduction</h2>
1288
1289<p class=MsoNormal>In this tutorial, we will show how GSAS-II makes use of the
1290Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1291<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1292k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1293style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1294class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1295class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1296Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1297to determine a magnetic crystal structure with a non-zero propagation vector.
1298If you have not done so already, you may wish to do the Simple Magnetic
1299Structures tutorial first as it contains some background information that will
1300not be covered here. It is also helpful to do parts I - III of the series of
1301Magnetic Structures tutorials. To make this work, your computer must have an
1302internet connection for GSAS-II to access this site. (We will supply the
1303project file that results after k-SUBGROUPSMAG is called in case you lack
1304internet access).</p>
1305
1306<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
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1328 <v:imagedata src="Magnetic-IV_files/image001.png" o:title=""/>
1329</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1330src="Magnetic-IV_files/image043.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1331
1332<p class=MsoNormal>In this tutorial we will be examining the perovskite (Pr<sub>0.5</sub>Sr<sub>0.5</sub><span
1333class=GramE>)MnO<sub>3</sub></span>, which at low temperature is a doubled <span
1334class=SpellE>a,b,c</span>-axis variant due to a rotation of the MnO<sub>6</sub>
1335<span class=SpellE>octahedra</span> about the assigned c-axis (drawing above)
1336to give the <span class=SpellE>Fmmm</span>, a=7.508, b=7.812, c=7.684 Å
1337chemical unit cell. The neutron powder diffraction data was collected on the
13383T2 diffractometer (LLB, <span class=SpellE>Saclay</span> France) at 10K and
1339&#955;=1.227 Å and this tutorial is based on Example 12.3 in the Jana2006
1340Cookbook (<span class=SpellE>Dušek</span>, et al., 2017). The antiferromagnetic
1341structure was originally determined by <span class=SpellE><span
1342style='font-size:11.5pt'>Knížek</span></span><span class=GramE><span
1343style='font-size:11.5pt'>,<span style='mso-spacerun:yes'>  </span>et</span></span><span
1344style='font-size:11.5pt'> al. (K. <span class=SpellE>Knížek</span>, J. <span
1345class=SpellE>Hejtmánek</span>, and Z. <span class=SpellE>Jirák</span>, C.
1346Martin, M. <span class=SpellE>Hervieu</span>, and B. <span class=SpellE>Raveau</span>,
1347G. André and F. <span class=SpellE>Bourée</span>, <i style='mso-bidi-font-style:
1348normal'>Chemistry of Materials</i>, (2004), <b style='mso-bidi-font-weight:
1349normal'>16</b>, 1104-1110). As we will see the magnetic space group is a
1350subgroup of <span class=SpellE>Fmmm</span> made principally by a loss of some
1351of the face centering symmetry. </span>We will use k-SUBGROUPSMAG to help sort
1352this out.</p>
1353
1354<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1355
1356<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1357about the internet connection!).</p>
1358
1359<h3>Step 1. Read in the data file</h3>
1360
1361<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1362style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1363style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1364the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1365mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1366minor-latin'>Import/Powder Data/from <span class=SpellE>gsas</span> powder data
1367file</span></b> menu item to read the data file into the current GSAS-II
1368project. Because you used <span style='mso-fareast-font-family:Calibri;
1369mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1370normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1371minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1372mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1373style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1374menu entry to open this page and downloaded the exercise files (recommended),
1375then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1376"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1377Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-IV/data/...</span></b><span
1378style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1379entry will bring you to the location where the files have been downloaded. (It
1380is also possible to download them manually from <a
1381href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/</a>.
1382In this case you will need to navigate to the download location manually.)<br>
1383For this tutorial the extension on the data file is the expected one, so it
1384should be immediately visible.</span></p>
1385
1386<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1387style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1388style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1389the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1390style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1391mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.gda</span></b></span><span
1392style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1393mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> data</span>
1394file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1395style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1396mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1397There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
1398normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1399minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1400style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1401mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1402minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1403style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1404mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1405minor-latin'>Yes</span></b></span> button to proceed.</p>
1406
1407<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1408style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1409style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1410this data file does not define an instrument parameter file, a file dialog will
1411appear for you to select the correct instrument parameter file. Select <span
1412class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1413"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1414minor-latin;mso-bidi-theme-font:minor-latin'>Saclay</span></b></span><b
1415style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1416mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1417minor-latin'> 3T2. <span class=SpellE><span class=GramE>instprm</span></span></span></b>;
1418you may have to change the file type in the file selection Dialog box to <b
1419style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1420mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1421minor-latin'>GSAS-II <span class=SpellE>instparm</span> file</span></b> to see
1422it. At this point the <b style='mso-bidi-font-weight:normal'><span
1423style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1424mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1425tree</span></b> window will have several entries and the plot window will show
1426the powder pattern</p>
1427
1428<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1429 id="Picture_x0020_4" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:323.25pt;
1430 height:287.25pt;visibility:visible;mso-wrap-style:square'>
1431 <v:imagedata src="Magnetic-IV_files/image003.png" o:title=""/>
1432</v:shape><![endif]--><![if !vml]><img border=0 width=431 height=383
1433src="Magnetic-IV_files/image044.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1434
1435<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1436style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1437style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>The
1438last few points in the profile are problematic; I set the upper Limit to <b
1439style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1440mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1441minor-latin'>123.5</span></b> to avoid them.</p>
1442
1443<h3>Step 2. Read in the chemical structure for (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1444class=GramE>)MnO<sub>3</sub></span></h3>
1445
1446<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1447style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1448style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1449the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1450mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1451minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1452information for (Pr<sub>.5</sub>Sr<sub>.5</sub><span class=GramE>)MnO<sub>3</sub></span>
1453into the current GSAS-II project. The file you want is <span class=SpellE><b
1454style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1455mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1456minor-latin'>PrSrMnO.cif</span></b></span> and should be in your current
1457directory. Other submenu items can read phase information in other
1458formats.<span style='mso-spacerun:yes'>  </span></p>
1459
1460<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
1461style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1462style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1463the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1464style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1465mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.cif</span></b></span><b
1466style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1467mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1468minor-latin'> </span></b><span style='font-family:"Calibri",sans-serif;
1469mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1470minor-latin'>data</span> file in the first dialog and press <b
1471style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1472mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1473minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1474class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1475"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1476minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1477style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1478mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1479minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1480style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1481mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1482minor-latin'>Yes</span></b></span> button to proceed. You will get the
1483opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1484normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1485minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>);
1486press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1487mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1488minor-latin'>OK</span></b> to continue.</p>
1489
1490<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo2'><![if !supportLists]><span
1491style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1492style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1493is the histogram selection window; this connects the phase to the data so it
1494can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span>Select
1495the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1496style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1497mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1498and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1499mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1500minor-latin'>OK</span></b>. The General tab for the phase is shown next</p>
1501
1502<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'><span
1503style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5"
1504 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:342.75pt;height:183.75pt;
1505 visibility:visible;mso-wrap-style:square'>
1506 <v:imagedata src="Magnetic-IV_files/image005.png" o:title=""/>
1507</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=245
1508src="Magnetic-IV_files/image045.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1509
1510<h3>Step 3. Check powder pattern indexing</h3>
1511
1512<p class=MsoNormal>Here the objective is to determine how the reflection
1513positions generated from the chemical (“nuclear”) crystal structure lattice
1514match up with the peaks observed for this antiferromagnet. </p>
1515
1516<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Select <b
1517style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1518mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1519minor-latin'>Unit Cells List</span></b> from the tree entries under the
1520histogram (begins with PWDR); the Indexing controls will be shown<br>
1521<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1522 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:359.25pt;height:125.25pt;
1523 visibility:visible;mso-wrap-style:square'>
1524 <v:imagedata src="Magnetic-IV_files/image007.png" o:title=""/>
1525</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=167
1526src="Magnetic-IV_files/image046.gif" v:shapes="Picture_x0020_6"><![endif]></span><br>
1527<span class=GramE>This</span> can use lattice parameters &amp; space groups to
1528generate expected reflection positions to check against the peaks in the powder
1529pattern. One could then enter this information by hand, but the easy way is to
1530use the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1531style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1532mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1533Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1534appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1535style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1536mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>).
1537This was taken from the Phases present in this project; there could be more
1538than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1539normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1540minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1541menu item allows you to get lattice information from any one of the other phase
1542containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1543style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1544mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1545and the Indexing controls will be change<br>
1546<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1547 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:362.25pt;height:126pt;
1548 visibility:visible;mso-wrap-style:square'>
1549 <v:imagedata src="Magnetic-IV_files/image009.png" o:title=""/>
1550</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=168
1551src="Magnetic-IV_files/image047.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1552
1553<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for
1554(Pr<sub>.5</sub>Sr<sub>.5</sub>)MnO<sub>3</sub> you had obtained from the <span
1555class=SpellE>cif</span> file and the powder pattern will change showing the
1556lines for <span class=SpellE>Fmmm</span> and those lattice parameters.</p>
1557
1558<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1559 id="_x0000_i1041" type="#_x0000_t75" style='width:360.75pt;height:320.25pt;
1560 visibility:visible;mso-wrap-style:square'>
1561 <v:imagedata src="Magnetic-IV_files/image011.png" o:title=""/>
1562</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1563src="Magnetic-IV_files/image048.gif" v:shapes="_x0000_i1041"><![endif]></span></p>
1564
1565<p class=MsoNormal>I’ve zoomed into the 6-40 <span class=SpellE>deg</span>
1566range to see that a number of peaks are not indexed by this space group (NB: <span
1567class=SpellE>Fmmm</span> lacks space group extinctions apart from F-centering
1568so there is no need to change it as in previous tutorials) and lattice. As
1569noted in the previous tutorial, antiferromagnetic ordering may force an
1570increase in the unit cell dimensions (usually a doubling or tripling of one or
1571more cell dimensions) or by removing a space group centering. Here we are
1572starting with an F-centered chemical cell so a loss of centering to get either
1573A-, B- or C- centering is a possibility to consider. To explore this we will
1574try each in turn and see how the generated reflection positions match up with
1575the observed peaks. </p>
1576
1577<p class=MsoNormal>Change the <span class=SpellE>Bravais</span> lattice to <span
1578class=SpellE>Ammm</span> and the Space group to <span class=GramE>A</span> m <span
1579class=SpellE>m</span> <span class=SpellE>m</span>; the plot will change on each
1580choice to give</p>
1581
1582<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1583 id="_x0000_i1040" type="#_x0000_t75" style='width:357.75pt;height:317.25pt;
1584 visibility:visible;mso-wrap-style:square'>
1585 <v:imagedata src="Magnetic-IV_files/image013.png" o:title=""/>
1586</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=423
1587src="Magnetic-IV_files/image049.gif" v:shapes="_x0000_i1040"><![endif]></span></p>
1588
1589<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Those line
1590up pretty well; note the lowest angle peak &amp; the one at about 21º2&#920;.
1591Now change <span class=SpellE>Bravais</span> lattice and Space group to <span
1592class=SpellE>Bmmm</span>; a new plot will appear</p>
1593
1594<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1595 id="Picture_x0020_8" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:360.75pt;
1596 height:320.25pt;visibility:visible;mso-wrap-style:square'>
1597 <v:imagedata src="Magnetic-IV_files/image015.png" o:title=""/>
1598</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1599src="Magnetic-IV_files/image050.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1600
1601<p class=MsoNormal>The match is not quite as good; the 1<sup>st</sup> line just
1602misses the 1<sup>st</sup> peak top and the one at 21º2&#920; also misses the peak
1603top. Lastly, let’s try <span class=SpellE>Cmmm</span>; enter it for <span
1604class=SpellE>Bravais</span> lattice and space group. A new plot appears</p>
1605
1606<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1607 id="Picture_x0020_9" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:363pt;
1608 height:322.5pt;visibility:visible;mso-wrap-style:square'>
1609 <v:imagedata src="Magnetic-IV_files/image017.png" o:title=""/>
1610</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=430
1611src="Magnetic-IV_files/image051.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
1612
1613<p class=MsoNormal>This fit seems even worse, so the right description is lose
1614the B- and C-centering leaving just A-centering. However, we want the A-center
1615to be magnetic; the way to do this is to assign the propagation vector <span
1616class=SpellE>k<sub>x</sub><span class=GramE>,k<sub>y</sub>,k<sub>z</sub></span></span>
1617= (1,0,0) when we run k-SUBGROUPSMAG on the parent space group (<span
1618class=SpellE>Fmmm</span>).</p>
1619
1620<h3>Step 4. Run k-SUBGROUPSMAG</h3>
1621
1622<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1623crystallographic server so you must be connected to the internet. In the Cell
1624Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1625style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1626mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1627k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1628
1629<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1630 id="Picture_x0020_10" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:207.75pt;
1631 height:225.75pt;visibility:visible;mso-wrap-style:square'>
1632 <v:imagedata src="Magnetic-IV_files/image019.png" o:title=""/>
1633</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
1634src="Magnetic-IV_files/image052.gif" v:shapes="Picture_x0020_10"><![endif]></span></p>
1635
1636<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1637space group (<span class=SpellE>Fmmm</span>) is taken from the Space Group
1638entry on the Unit Cells window. Since we just discovered the propagation vector
1639as (1<span class=GramE>,0,0</span>) change <b style='mso-bidi-font-weight:normal'><span
1640style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1641mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kx1</span></b>
1642to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1643mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1644minor-latin'>1</span></b>. The available selections were determined by
1645surveying the known magnetic crystal structures given in the Bilbao Magnetic
1646Structures database. Select <span class=SpellE><b style='mso-bidi-font-weight:
1647normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1648minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
1649for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1650mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1651minor-latin'>test for mag atoms</span></b> and then press <b style='mso-bidi-font-weight:
1652normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1653minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1654A popup dialog will appear reminding you how to cite the Bilbao routine in any
1655paper you write using this facility.</p>
1656
1657<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1658 id="Picture_x0020_11" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:357.75pt;
1659 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1660 <v:imagedata src="Magnetic-IV_files/image021.png" o:title=""/>
1661</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1662src="Magnetic-IV_files/image053.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1663
1664<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1665style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1666mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1667the nag note will also appear on the console and after a pause, the console
1668will show “request OK” indicating that the Bilbao site has responded with some
1669results. GSAS-II will next display a File Dialog asking for a project name to
1670save this project; change the directory to a useful place for your work on this
1671tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1672normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1673minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.<o:p></o:p></span></b></p>
1674
1675<p class=MsoNormal>The GSAS-II data window will display the results from
1676k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1677this file is located in the same location as the powder data and <span
1678class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1679normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1680minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1681Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1682normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1683minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>”,
1684then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1685style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1686mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1687style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1688mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1689minor-latin'> as</span></b> to save it immediately in your working directory.).
1690The Unit Cells List window will show the results</p>
1691
1692<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1693 id="_x0000_i1035" type="#_x0000_t75" style='width:5in;height:292.5pt;
1694 visibility:visible;mso-wrap-style:square'>
1695 <v:imagedata src="Magnetic-IV_files/image054.png" o:title=""/>
1696</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=390
1697src="Magnetic-IV_files/image055.gif" v:shapes="_x0000_i1035"><![endif]></span></p>
1698
1699<p class=MsoNormal>The <span class=SpellE>Uniq</span> column gives the number
1700of unique magnetic <span class=SpellE>Mn</span> atoms there are in each phase;
1701usually the correct magnetic structure has the smallest number of these. The <b
1702style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1703mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1704minor-latin'>preserve axes</span></b> option on the k-SUBGROUPSMAG is set by
1705default to transform the standard setting result from k-SUBGROUPSMAG for
1706orthorhombic to one that closely is aligned, if possible, to the parent cell
1707axes. So this list contains non-standard settings of orthorhombic space groups
1708(e.g. the chemical version of #3 P<sub>C</sub> <span class=SpellE>bmn</span> is
1709a non-standard version of P <span class=SpellE>mna</span>, #53 in International
1710Tables for Crystallography Vol A.). If desired, clearing the flag and rerunning
1711k-SUBGROUPSMAG will produce magnetic space groups in standard settings; we will
1712continue with the above set so the chemical cell and magnetic cell axes line up
1713together.</p>
1714
1715<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1716style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1717mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1718on the 4 marked Keep out of the 1<sup>st</sup> 8 solutions. Only #7 &amp; #8
1719will index the low angle peaks correctly. We’ll go with these. The solutions
1720further down are ones in which more than one symmetry generator was removed (<span
1721class=SpellE>nSup</span> &gt; 1); if need be we can go back and look at those.
1722NB: running k-SUBGROUPSMAG with the “Landau transition” checked will give just
1723these 1<sup>st</sup> 8 solutions. This might be appropriate because the
1724magnetic transition for (Pr<sub>.5</sub>Sr<sub>.5</sub><span class=GramE>)MnO<sub>3</sub></span><sub>
1725</sub>is a continuous 2<sup>nd</sup> order transition. However, by doing this in
1726other cases one might not see the correct result!</p>
1727
1728<h3>Step 5. Select 1<sup>st</sup> magnetic structure</h3>
1729
1730<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1731style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1732mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>
1733phase from the GSAS-II data tree (under Phases). The General tab is shown for
1734this nuclear phase.</p>
1735
1736<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1737 id="Picture_x0020_16" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:358.5pt;
1738 height:200.25pt;visibility:visible;mso-wrap-style:square'>
1739 <v:imagedata src="Magnetic-IV_files/image025.png" o:title=""/>
1740</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=267
1741src="Magnetic-IV_files/image056.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1742
1743<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1744style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1745mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1746magnetic phase</span></b>; that will make a small popup dialog</p>
1747
1748<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1749 id="Picture_x0020_17" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:276.75pt;
1750 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1751 <v:imagedata src="Magnetic-IV_files/image027.png" o:title=""/>
1752</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1753src="Magnetic-IV_files/image057.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1754
1755<p class=MsoNormal>This shows all magnetic phases that were marked <span
1756class=GramE>Keep</span> in the Unit Cells List; for each you see the
1757transformation and vector (the first two results we had checked to see if they
1758indexed the pattern). Select the 1<sup>st</sup> one and press <b
1759style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1760mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1761minor-latin'>OK</span></b>; a new popup dialog will appear.</p>
1762
1763<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1764 id="Picture_x0020_18" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:276.75pt;
1765 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1766 <v:imagedata src="Magnetic-IV_files/image029.png" o:title=""/>
1767</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=123
1768src="Magnetic-IV_files/image058.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1769
1770<p class=MsoNormal>This one <span class=SpellE>Mn</span> atom has an allowed
1771moment component (My). Press <span class=GramE>Yes</span> to use it. The
1772project will be saved first, then a file dialog box will appear offering a
1773project name for this magnetic structure. It is named with the number from the
1774space group list (<b style='mso-bidi-font-weight:normal'><span
1775style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1776mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3
1777mag_7.gpx</span></b>); press <b style='mso-bidi-font-weight:normal'><span
1778style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1779mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save.</span></b>
1780The new project will be opened to the General tab for the A<sub>B</sub> <span
1781class=SpellE>mma</span> magnetic phase just created.</p>
1782
1783<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1784 id="Picture_x0020_19" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:354pt;
1785 height:197.25pt;visibility:visible;mso-wrap-style:square'>
1786 <v:imagedata src="Magnetic-IV_files/image031.png" o:title=""/>
1787</v:shape><![endif]--><![if !vml]><img border=0 width=472 height=263
1788src="Magnetic-IV_files/image059.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1789
1790<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1791style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1792mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1793for the <span class=SpellE>Mn</span> atom <span class=GramE>My</span> values.
1794Then go to Draw Atoms, select them all and do <span class=GramE><b
1795style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1796mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1797minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
1798style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1799mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> Figure/Fill
1800unit cell</span></b>; you’ll see this antiferromagnetic structure</p>
1801
1802<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1803 id="Picture_x0020_20" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:5in;
1804 height:319.5pt;visibility:visible;mso-wrap-style:square'>
1805 <v:imagedata src="Magnetic-IV_files/image033.png" o:title=""/>
1806</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=426
1807src="Magnetic-IV_files/image060.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1808
1809<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1810style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1811mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>;
1812the resulting <span class=SpellE>wR</span> ~26% with some intensity for all the
1813peaks in the pattern, but the magnetic moment is probably wrong. Go to the
1814magnetic phase Atoms tab and select refine <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'>M</span></b>
1817for the <span class=SpellE>Mn</span> atom. Do <b style='mso-bidi-font-weight:
1818normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1819minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1820again; the residual drops a bit but now the errors seem to be mostly peak
1821position. Go to the General tab for both phases and check the <b
1822style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1823mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1824minor-latin'>Refine unit cell</span></b> box for each. Then go to <b
1825style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1826mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1827minor-latin'>Sample parameters</span></b> for the PWDR data set, set goniometer
1828radius to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1829mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1830minor-latin'>1000</span></b> and check both <b style='mso-bidi-font-weight:
1831normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1832minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
1833X &amp; Y <span class=SpellE>displ</span></span></b> parameters. Do <b
1834style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1835mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1836minor-latin'>Calculate/Refine</span></b> again; <span class=SpellE>wR</span> ~
18377% now. To finish the refinement, include Instrument parameters <b
1838style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1839mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1840minor-latin'>U, V, W, X, Y and SH/L</span></b>; use <b style='mso-bidi-font-weight:
1841normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1842minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1843Background term and refine <b style='mso-bidi-font-weight:normal'><span
1844style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1845mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1846for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1847style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1848mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XUM</span></b>
1849in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1850style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1851mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1852my residual was <span class=SpellE>wR</span>=6.15% and the magnetic <span
1853class=SpellE>Mn</span> atom moment <span class=SpellE>Mz</span> = 3.41. The fit
1854shown on the plot is quite good.</p>
1855
1856<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1857 id="Picture_x0020_21" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:356.25pt;
1858 height:316.5pt;visibility:visible;mso-wrap-style:square'>
1859 <v:imagedata src="Magnetic-IV_files/image035.png" o:title=""/>
1860</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1861src="Magnetic-IV_files/image061.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1862
1863<p class=MsoNormal>I show the plot with <span class=SpellE><span class=GramE>sqrt</span></span><span
1864class=GramE>(</span>intensity) &amp; weighted difference curves; the latter is
1865clearly all within 2-3 <span style='font-family:Symbol'>s</span> of the
1866observed data. Now let’s try the other solution.</p>
1867
1868<h3>Step 6. Select 2nd magnetic structure</h3>
1869
1870<p class=MsoNormal>To continue the selection process, we need to use the saved
1871project used for the first selection because it contains the table of possible
1872magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1873normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1874minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1875project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1876normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1877minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>;
1878you’ll see a reminder to save the old project (we just did this) and select the
1879<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1880mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1881minor-latin'>PrSrMnO3</span></b> phase (should be the only one); the General
1882tab will be shown</p>
1883
1884<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1885 id="Picture_x0020_22" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:5in;
1886 height:201pt;visibility:visible;mso-wrap-style:square'>
1887 <v:imagedata src="Magnetic-IV_files/image037.png" o:title=""/>
1888</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=268
1889src="Magnetic-IV_files/image062.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1890
1891<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1892style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1893mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1894magnetic phase</span></b> from the menu; the popup should look like</p>
1895
1896<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1897 id="Picture_x0020_23" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:276.75pt;
1898 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1899 <v:imagedata src="Magnetic-IV_files/image027.png" o:title=""/>
1900</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1901src="Magnetic-IV_files/image057.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1902
1903<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
1904and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1905mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1906minor-latin'>OK</span></b>; a popup will appear</p>
1907
1908<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1909 id="Picture_x0020_24" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:281.25pt;
1910 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1911 <v:imagedata src="Magnetic-IV_files/image039.png" o:title=""/>
1912</v:shape><![endif]--><![if !vml]><img border=0 width=375 height=123
1913src="Magnetic-IV_files/image063.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1914
1915<p class=MsoNormal>In this case, the <span class=SpellE>Mn</span> atom has
1916allowed <span class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span>
1917components (the previous one had only <span class=GramE>My</span>). Press <span
1918class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1919"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1920minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> to select
1921it. The project will be saved and a new project <b style='mso-bidi-font-weight:
1922normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1923minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3
1924mag_8.gpx</span></b> will be created. The General tab for this new phase will
1925be shown</p>
1926
1927<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1928 id="Picture_x0020_25" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:355.5pt;
1929 height:209.25pt;visibility:visible;mso-wrap-style:square'>
1930 <v:imagedata src="Magnetic-IV_files/image041.png" o:title=""/>
1931</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=279
1932src="Magnetic-IV_files/image064.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
1933
1934<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mx</span>
1935&amp; My for the <span class=SpellE>Mn</span> atom to <b style='mso-bidi-font-weight:
1936normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1937minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
1938Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic
1939structure. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
1940"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1941minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> first.
1942Then set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1943"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1944minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b> refine flags for the
1945magnetic atoms; do <b style='mso-bidi-font-weight:normal'><span
1946style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1947mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
1948Add <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1949mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1950minor-latin'>sample X &amp; Y displacements</span></b> (radius = <b
1951style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1952mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1953minor-latin'>1000</span></b>) and both lattice parameters; do <b
1954style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1955mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1956minor-latin'>Calculate/Refine </span></b>(<span class=GramE>wP~</span>11% -
1957poorer than before). Then add Instrument parameters <b style='mso-bidi-font-weight:
1958normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1959minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U,
1960V, W, X, Y &amp; SH/L</span></b>; do <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'>Calculate/Refine
1963</span></b>(<span class=SpellE>wR</span> ~10.75% - still poorer). Finally use <b
1964style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1965mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1966minor-latin'>6</span></b> background coefficients and refine <b
1967style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1968mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1969minor-latin'>XU</span></b> for the chemical phase atoms and <b
1970style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1971mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1972minor-latin'>XUM</span></b> for the magnetic atoms. Do <b style='mso-bidi-font-weight:
1973normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1974minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1975a few times until it converges. I got <span class=SpellE>wR</span> = 10.2%
1976which is definitely poorer than the result for the first model. Therefore, the
1977model #7 is the correct one with magnetic space group A<sub>B</sub> <span
1978class=SpellE>mma</span> and a moment <span class=SpellE>m<sub>z</sub></span>=3.407(12)
1979on the <span class=SpellE>Mn</span> atom. Save the bad project if you wish.
1980This concludes the tutorial.</p>
1981
1982<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1983
1984</div>
1985
1986</body>
1987
1988</html>
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