source: Tutorials/Magnetic-IV/Magnetic-IV.htm @ 3635

Last change on this file since 3635 was 3635, checked in by vondreele, 4 years ago
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412  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
413  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
414  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
415  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
416  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
417  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
418  <w:LsdException Locked="false" Priority="34" QFormat="true"
419   Name="List Paragraph"/>
420  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
421  <w:LsdException Locked="false" Priority="30" QFormat="true"
422   Name="Intense Quote"/>
423  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
424  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
425  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
426  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
427  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
428  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
429  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
430  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
431  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
432  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
433  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
434  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
435  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
436  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
439  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
440  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
441  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
442  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
443  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
444  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
445  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
446  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
447  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
448  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
449  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
450  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
453  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
454  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
455  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
456  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
457  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
458  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
459  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
460  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
461  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
462  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
463  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
464  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
467  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
468  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
469  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
470  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
471  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
472  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
473  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
474  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
475  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
476  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
477  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
478  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
481  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
482  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
483  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
484  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
485  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
486  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
487  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
488  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
489  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
490  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
491  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
492  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
495  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
496  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
497  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
498  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
499  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
500  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
501  <w:LsdException Locked="false" Priority="19" QFormat="true"
502   Name="Subtle Emphasis"/>
503  <w:LsdException Locked="false" Priority="21" QFormat="true"
504   Name="Intense Emphasis"/>
505  <w:LsdException Locked="false" Priority="31" QFormat="true"
506   Name="Subtle Reference"/>
507  <w:LsdException Locked="false" Priority="32" QFormat="true"
508   Name="Intense Reference"/>
509  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
510  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
511   UnhideWhenUsed="true" Name="Bibliography"/>
512  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
513   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
514  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
515  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
516  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
517  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
518  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
519  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
520  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
521  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
522  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
523  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
524  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
525  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
526  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
527  <w:LsdException Locked="false" Priority="46"
528   Name="Grid Table 1 Light Accent 1"/>
529  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
530  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
531  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
532  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
533  <w:LsdException Locked="false" Priority="51"
534   Name="Grid Table 6 Colorful Accent 1"/>
535  <w:LsdException Locked="false" Priority="52"
536   Name="Grid Table 7 Colorful Accent 1"/>
537  <w:LsdException Locked="false" Priority="46"
538   Name="Grid Table 1 Light Accent 2"/>
539  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
540  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
541  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
542  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
543  <w:LsdException Locked="false" Priority="51"
544   Name="Grid Table 6 Colorful Accent 2"/>
545  <w:LsdException Locked="false" Priority="52"
546   Name="Grid Table 7 Colorful Accent 2"/>
547  <w:LsdException Locked="false" Priority="46"
548   Name="Grid Table 1 Light Accent 3"/>
549  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
550  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
551  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
552  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
553  <w:LsdException Locked="false" Priority="51"
554   Name="Grid Table 6 Colorful Accent 3"/>
555  <w:LsdException Locked="false" Priority="52"
556   Name="Grid Table 7 Colorful Accent 3"/>
557  <w:LsdException Locked="false" Priority="46"
558   Name="Grid Table 1 Light Accent 4"/>
559  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
560  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
561  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
562  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
563  <w:LsdException Locked="false" Priority="51"
564   Name="Grid Table 6 Colorful Accent 4"/>
565  <w:LsdException Locked="false" Priority="52"
566   Name="Grid Table 7 Colorful Accent 4"/>
567  <w:LsdException Locked="false" Priority="46"
568   Name="Grid Table 1 Light Accent 5"/>
569  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
570  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
571  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
572  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
573  <w:LsdException Locked="false" Priority="51"
574   Name="Grid Table 6 Colorful Accent 5"/>
575  <w:LsdException Locked="false" Priority="52"
576   Name="Grid Table 7 Colorful Accent 5"/>
577  <w:LsdException Locked="false" Priority="46"
578   Name="Grid Table 1 Light Accent 6"/>
579  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
580  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
581  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
582  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
583  <w:LsdException Locked="false" Priority="51"
584   Name="Grid Table 6 Colorful Accent 6"/>
585  <w:LsdException Locked="false" Priority="52"
586   Name="Grid Table 7 Colorful Accent 6"/>
587  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
588  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
589  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
590  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
591  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
592  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
593  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
594  <w:LsdException Locked="false" Priority="46"
595   Name="List Table 1 Light Accent 1"/>
596  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
597  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
598  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
599  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
600  <w:LsdException Locked="false" Priority="51"
601   Name="List Table 6 Colorful Accent 1"/>
602  <w:LsdException Locked="false" Priority="52"
603   Name="List Table 7 Colorful Accent 1"/>
604  <w:LsdException Locked="false" Priority="46"
605   Name="List Table 1 Light Accent 2"/>
606  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
607  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
608  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
609  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
610  <w:LsdException Locked="false" Priority="51"
611   Name="List Table 6 Colorful Accent 2"/>
612  <w:LsdException Locked="false" Priority="52"
613   Name="List Table 7 Colorful Accent 2"/>
614  <w:LsdException Locked="false" Priority="46"
615   Name="List Table 1 Light Accent 3"/>
616  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
617  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
618  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
619  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
620  <w:LsdException Locked="false" Priority="51"
621   Name="List Table 6 Colorful Accent 3"/>
622  <w:LsdException Locked="false" Priority="52"
623   Name="List Table 7 Colorful Accent 3"/>
624  <w:LsdException Locked="false" Priority="46"
625   Name="List Table 1 Light Accent 4"/>
626  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
627  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
628  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
629  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
630  <w:LsdException Locked="false" Priority="51"
631   Name="List Table 6 Colorful Accent 4"/>
632  <w:LsdException Locked="false" Priority="52"
633   Name="List Table 7 Colorful Accent 4"/>
634  <w:LsdException Locked="false" Priority="46"
635   Name="List Table 1 Light Accent 5"/>
636  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
637  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
638  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
639  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
640  <w:LsdException Locked="false" Priority="51"
641   Name="List Table 6 Colorful Accent 5"/>
642  <w:LsdException Locked="false" Priority="52"
643   Name="List Table 7 Colorful Accent 5"/>
644  <w:LsdException Locked="false" Priority="46"
645   Name="List Table 1 Light Accent 6"/>
646  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
647  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
648  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
649  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
650  <w:LsdException Locked="false" Priority="51"
651   Name="List Table 6 Colorful Accent 6"/>
652  <w:LsdException Locked="false" Priority="52"
653   Name="List Table 7 Colorful Accent 6"/>
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783        mso-fareast-theme-font:minor-fareast;
784        color:#4F4FFF;
785        font-weight:bold;}
786a:link, span.MsoHyperlink
787        {mso-style-priority:99;
788        color:blue;
789        text-decoration:underline;
790        text-underline:single;}
791a:visited, span.MsoHyperlinkFollowed
792        {mso-style-noshow:yes;
793        mso-style-priority:99;
794        color:purple;
795        text-decoration:underline;
796        text-underline:single;}
797p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
798        {mso-style-noshow:yes;
799        mso-style-priority:99;
800        mso-style-link:"Document Map Char";
801        margin:0in;
802        margin-bottom:.0001pt;
803        mso-pagination:widow-orphan;
804        font-size:8.0pt;
805        font-family:"Tahoma",sans-serif;
806        mso-fareast-font-family:"Times New Roman";
807        mso-fareast-theme-font:minor-fareast;}
808p
809        {mso-style-noshow:yes;
810        mso-style-priority:99;
811        mso-margin-top-alt:auto;
812        margin-right:0in;
813        mso-margin-bottom-alt:auto;
814        margin-left:0in;
815        mso-pagination:widow-orphan;
816        font-size:12.0pt;
817        font-family:"Times New Roman",serif;
818        mso-fareast-font-family:"Times New Roman";
819        mso-fareast-theme-font:minor-fareast;}
820pre
821        {mso-style-noshow:yes;
822        mso-style-priority:99;
823        mso-style-link:"HTML Preformatted Char";
824        margin:0in;
825        margin-bottom:.0001pt;
826        mso-pagination:widow-orphan;
827        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;
828        font-size:10.0pt;
829        font-family:"Courier New";
830        mso-fareast-font-family:"Times New Roman";}
831p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
832        {mso-style-noshow:yes;
833        mso-style-priority:99;
834        mso-style-link:"Balloon Text Char";
835        margin:0in;
836        margin-bottom:.0001pt;
837        mso-pagination:widow-orphan;
838        font-size:8.0pt;
839        font-family:"Tahoma",sans-serif;
840        mso-fareast-font-family:"Times New Roman";
841        mso-fareast-theme-font:minor-fareast;}
842span.MsoPlaceholderText
843        {mso-style-noshow:yes;
844        mso-style-priority:99;
845        mso-style-unhide:no;
846        color:gray;}
847p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
848        {mso-style-noshow:yes;
849        mso-style-priority:1;
850        mso-style-unhide:no;
851        mso-style-qformat:yes;
852        mso-style-parent:"";
853        margin:0in;
854        margin-bottom:.0001pt;
855        mso-pagination:widow-orphan;
856        font-size:12.0pt;
857        font-family:"Times New Roman",serif;
858        mso-fareast-font-family:"Times New Roman";
859        mso-fareast-theme-font:minor-fareast;}
860p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
861        {mso-style-noshow:yes;
862        mso-style-priority:34;
863        mso-style-unhide:no;
864        mso-style-qformat:yes;
865        margin-top:0in;
866        margin-right:0in;
867        margin-bottom:0in;
868        margin-left:.5in;
869        margin-bottom:.0001pt;
870        mso-add-space:auto;
871        mso-pagination:widow-orphan;
872        font-size:12.0pt;
873        font-family:"Times New Roman",serif;
874        mso-fareast-font-family:"Times New Roman";
875        mso-fareast-theme-font:minor-fareast;}
876p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
877        {mso-style-noshow:yes;
878        mso-style-priority:34;
879        mso-style-unhide:no;
880        mso-style-qformat:yes;
881        mso-style-type:export-only;
882        margin-top:0in;
883        margin-right:0in;
884        margin-bottom:0in;
885        margin-left:.5in;
886        margin-bottom:.0001pt;
887        mso-add-space:auto;
888        mso-pagination:widow-orphan;
889        font-size:12.0pt;
890        font-family:"Times New Roman",serif;
891        mso-fareast-font-family:"Times New Roman";
892        mso-fareast-theme-font:minor-fareast;}
893p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
894        {mso-style-noshow:yes;
895        mso-style-priority:34;
896        mso-style-unhide:no;
897        mso-style-qformat:yes;
898        mso-style-type:export-only;
899        margin-top:0in;
900        margin-right:0in;
901        margin-bottom:0in;
902        margin-left:.5in;
903        margin-bottom:.0001pt;
904        mso-add-space:auto;
905        mso-pagination:widow-orphan;
906        font-size:12.0pt;
907        font-family:"Times New Roman",serif;
908        mso-fareast-font-family:"Times New Roman";
909        mso-fareast-theme-font:minor-fareast;}
910p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
911        {mso-style-noshow:yes;
912        mso-style-priority:34;
913        mso-style-unhide:no;
914        mso-style-qformat:yes;
915        mso-style-type:export-only;
916        margin-top:0in;
917        margin-right:0in;
918        margin-bottom:0in;
919        margin-left:.5in;
920        margin-bottom:.0001pt;
921        mso-add-space:auto;
922        mso-pagination:widow-orphan;
923        font-size:12.0pt;
924        font-family:"Times New Roman",serif;
925        mso-fareast-font-family:"Times New Roman";
926        mso-fareast-theme-font:minor-fareast;}
927span.MsoIntenseReference
928        {mso-style-priority:32;
929        mso-style-unhide:no;
930        mso-style-qformat:yes;
931        font-variant:small-caps;
932        color:#C0504D;
933        mso-themecolor:accent2;
934        letter-spacing:.25pt;
935        font-weight:bold;
936        text-decoration:underline;
937        text-underline:single;}
938span.Heading1Char
939        {mso-style-name:"Heading 1 Char";
940        mso-style-priority:9;
941        mso-style-unhide:no;
942        mso-style-locked:yes;
943        mso-style-link:"Heading 1";
944        mso-ansi-font-size:24.0pt;
945        mso-bidi-font-size:24.0pt;
946        font-family:"Times New Roman",serif;
947        mso-ascii-font-family:"Times New Roman";
948        mso-fareast-font-family:"Times New Roman";
949        mso-fareast-theme-font:minor-fareast;
950        mso-hansi-font-family:"Times New Roman";
951        mso-bidi-font-family:"Times New Roman";
952        mso-font-kerning:18.0pt;
953        font-weight:bold;}
954span.Heading2Char
955        {mso-style-name:"Heading 2 Char";
956        mso-style-noshow:yes;
957        mso-style-priority:9;
958        mso-style-unhide:no;
959        mso-style-locked:yes;
960        mso-style-link:"Heading 2";
961        mso-ansi-font-size:18.0pt;
962        mso-bidi-font-size:18.0pt;
963        font-family:"Times New Roman",serif;
964        mso-ascii-font-family:"Times New Roman";
965        mso-fareast-font-family:"Times New Roman";
966        mso-fareast-theme-font:minor-fareast;
967        mso-hansi-font-family:"Times New Roman";
968        mso-bidi-font-family:"Times New Roman";
969        font-weight:bold;}
970span.Heading3Char
971        {mso-style-name:"Heading 3 Char";
972        mso-style-noshow:yes;
973        mso-style-priority:9;
974        mso-style-unhide:no;
975        mso-style-locked:yes;
976        mso-style-link:"Heading 3";
977        mso-ansi-font-size:13.5pt;
978        mso-bidi-font-size:13.5pt;
979        font-family:"Times New Roman",serif;
980        mso-ascii-font-family:"Times New Roman";
981        mso-fareast-font-family:"Times New Roman";
982        mso-fareast-theme-font:minor-fareast;
983        mso-hansi-font-family:"Times New Roman";
984        mso-bidi-font-family:"Times New Roman";
985        font-weight:bold;}
986span.Heading4Char
987        {mso-style-name:"Heading 4 Char";
988        mso-style-noshow:yes;
989        mso-style-priority:9;
990        mso-style-unhide:no;
991        mso-style-locked:yes;
992        mso-style-link:"Heading 4";
993        mso-ansi-font-size:13.0pt;
994        mso-bidi-font-size:13.0pt;
995        font-family:"Cambria",serif;
996        mso-ascii-font-family:Cambria;
997        mso-ascii-theme-font:major-latin;
998        mso-fareast-font-family:"Times New Roman";
999        mso-fareast-theme-font:major-fareast;
1000        mso-hansi-font-family:Cambria;
1001        mso-hansi-theme-font:major-latin;
1002        mso-bidi-font-family:"Times New Roman";
1003        mso-bidi-theme-font:major-bidi;
1004        color:#4F81BD;
1005        mso-themecolor:accent1;
1006        font-weight:bold;
1007        font-style:italic;}
1008span.Heading5Char
1009        {mso-style-name:"Heading 5 Char";
1010        mso-style-noshow:yes;
1011        mso-style-priority:9;
1012        mso-style-unhide:no;
1013        mso-style-locked:yes;
1014        mso-style-link:"Heading 5";
1015        mso-ansi-font-size:12.0pt;
1016        mso-bidi-font-size:12.0pt;
1017        font-family:"Times New Roman",serif;
1018        mso-ascii-font-family:"Times New Roman";
1019        mso-fareast-font-family:"Times New Roman";
1020        mso-fareast-theme-font:minor-fareast;
1021        mso-hansi-font-family:"Times New Roman";
1022        mso-bidi-font-family:"Times New Roman";
1023        color:#4F4FFF;
1024        font-weight:bold;}
1025span.HTMLPreformattedChar
1026        {mso-style-name:"HTML Preformatted Char";
1027        mso-style-noshow:yes;
1028        mso-style-priority:99;
1029        mso-style-unhide:no;
1030        mso-style-locked:yes;
1031        mso-style-link:"HTML Preformatted";
1032        mso-ansi-font-size:10.0pt;
1033        mso-bidi-font-size:10.0pt;
1034        font-family:"Courier New";
1035        mso-ascii-font-family:"Courier New";
1036        mso-fareast-font-family:"Times New Roman";
1037        mso-hansi-font-family:"Courier New";
1038        mso-bidi-font-family:"Courier New";}
1039p.msonormal0, li.msonormal0, div.msonormal0
1040        {mso-style-name:msonormal;
1041        mso-style-noshow:yes;
1042        mso-style-priority:99;
1043        mso-style-unhide:no;
1044        mso-margin-top-alt:auto;
1045        margin-right:0in;
1046        mso-margin-bottom-alt:auto;
1047        margin-left:0in;
1048        mso-pagination:widow-orphan;
1049        font-size:12.0pt;
1050        font-family:"Times New Roman",serif;
1051        mso-fareast-font-family:"Times New Roman";
1052        mso-fareast-theme-font:minor-fareast;}
1053span.DocumentMapChar
1054        {mso-style-name:"Document Map Char";
1055        mso-style-noshow:yes;
1056        mso-style-priority:99;
1057        mso-style-unhide:no;
1058        mso-style-locked:yes;
1059        mso-style-link:"Document Map";
1060        mso-ansi-font-size:8.0pt;
1061        mso-bidi-font-size:8.0pt;
1062        font-family:"Tahoma",sans-serif;
1063        mso-ascii-font-family:Tahoma;
1064        mso-fareast-font-family:"Times New Roman";
1065        mso-fareast-theme-font:minor-fareast;
1066        mso-hansi-font-family:Tahoma;
1067        mso-bidi-font-family:Tahoma;}
1068span.BalloonTextChar
1069        {mso-style-name:"Balloon Text Char";
1070        mso-style-noshow:yes;
1071        mso-style-priority:99;
1072        mso-style-unhide:no;
1073        mso-style-locked:yes;
1074        mso-style-link:"Balloon Text";
1075        mso-ansi-font-size:8.0pt;
1076        mso-bidi-font-size:8.0pt;
1077        font-family:"Tahoma",sans-serif;
1078        mso-ascii-font-family:Tahoma;
1079        mso-fareast-font-family:"Times New Roman";
1080        mso-fareast-theme-font:minor-fareast;
1081        mso-hansi-font-family:Tahoma;
1082        mso-bidi-font-family:Tahoma;}
1083span.GSAS-IItextChar
1084        {mso-style-name:"GSAS-II text Char";
1085        mso-style-unhide:no;
1086        mso-style-locked:yes;
1087        mso-style-link:"GSAS-II text";
1088        mso-ansi-font-size:12.0pt;
1089        mso-bidi-font-size:12.0pt;
1090        font-family:"Times New Roman",serif;
1091        mso-ascii-font-family:"Times New Roman";
1092        mso-fareast-font-family:"Times New Roman";
1093        mso-fareast-theme-font:minor-fareast;
1094        mso-hansi-font-family:"Times New Roman";
1095        mso-bidi-font-family:Calibri;
1096        mso-bidi-theme-font:minor-latin;
1097        font-weight:bold;
1098        mso-bidi-font-weight:normal;}
1099p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1100        {mso-style-name:"GSAS-II text";
1101        mso-style-noshow:yes;
1102        mso-style-priority:99;
1103        mso-style-unhide:no;
1104        mso-style-link:"GSAS-II text Char";
1105        margin:0in;
1106        margin-bottom:.0001pt;
1107        mso-pagination:widow-orphan;
1108        font-size:12.0pt;
1109        font-family:"Calibri",sans-serif;
1110        mso-ascii-font-family:Calibri;
1111        mso-ascii-theme-font:minor-latin;
1112        mso-fareast-font-family:"Times New Roman";
1113        mso-fareast-theme-font:minor-fareast;
1114        mso-hansi-font-family:Calibri;
1115        mso-hansi-theme-font:minor-latin;
1116        mso-bidi-font-family:Calibri;
1117        mso-bidi-theme-font:minor-latin;
1118        font-weight:bold;
1119        mso-bidi-font-weight:normal;}
1120span.SpellE
1121        {mso-style-name:"";
1122        mso-spl-e:yes;}
1123span.GramE
1124        {mso-style-name:"";
1125        mso-gram-e:yes;}
1126.MsoChpDefault
1127        {mso-style-type:export-only;
1128        mso-default-props:yes;
1129        font-size:10.0pt;
1130        mso-ansi-font-size:10.0pt;
1131        mso-bidi-font-size:10.0pt;
1132        font-family:"Calibri",sans-serif;
1133        mso-ascii-font-family:Calibri;
1134        mso-ascii-theme-font:minor-latin;
1135        mso-fareast-font-family:Calibri;
1136        mso-fareast-theme-font:minor-latin;
1137        mso-hansi-font-family:Calibri;
1138        mso-hansi-theme-font:minor-latin;
1139        mso-bidi-font-family:"Times New Roman";
1140        mso-bidi-theme-font:minor-bidi;}
1141@page WordSection1
1142        {size:8.5in 11.0in;
1143        margin:1.0in 1.0in 1.0in 1.0in;
1144        mso-header-margin:.5in;
1145        mso-footer-margin:.5in;
1146        mso-paper-source:0;}
1147div.WordSection1
1148        {page:WordSection1;}
1149 /* List Definitions */
1150 @list l0
1151        {mso-list-id:202911215;
1152        mso-list-type:hybrid;
1153        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1154@list l0:level1
1155        {mso-level-tab-stop:none;
1156        mso-level-number-position:left;
1157        text-indent:-.25in;}
1158@list l0:level2
1159        {mso-level-number-format:alpha-lower;
1160        mso-level-tab-stop:none;
1161        mso-level-number-position:left;
1162        text-indent:-.25in;}
1163@list l0:level3
1164        {mso-level-number-format:roman-lower;
1165        mso-level-tab-stop:none;
1166        mso-level-number-position:right;
1167        text-indent:-9.0pt;}
1168@list l0:level4
1169        {mso-level-tab-stop:none;
1170        mso-level-number-position:left;
1171        text-indent:-.25in;}
1172@list l0:level5
1173        {mso-level-number-format:alpha-lower;
1174        mso-level-tab-stop:none;
1175        mso-level-number-position:left;
1176        text-indent:-.25in;}
1177@list l0:level6
1178        {mso-level-number-format:roman-lower;
1179        mso-level-tab-stop:none;
1180        mso-level-number-position:right;
1181        text-indent:-9.0pt;}
1182@list l0:level7
1183        {mso-level-tab-stop:none;
1184        mso-level-number-position:left;
1185        text-indent:-.25in;}
1186@list l0:level8
1187        {mso-level-number-format:alpha-lower;
1188        mso-level-tab-stop:none;
1189        mso-level-number-position:left;
1190        text-indent:-.25in;}
1191@list l0:level9
1192        {mso-level-number-format:roman-lower;
1193        mso-level-tab-stop:none;
1194        mso-level-number-position:right;
1195        text-indent:-9.0pt;}
1196@list l1
1197        {mso-list-id:479426291;
1198        mso-list-type:hybrid;
1199        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1200@list l1:level1
1201        {mso-level-tab-stop:none;
1202        mso-level-number-position:left;
1203        text-indent:-.25in;}
1204@list l1:level2
1205        {mso-level-number-format:alpha-lower;
1206        mso-level-tab-stop:none;
1207        mso-level-number-position:left;
1208        text-indent:-.25in;}
1209@list l1:level3
1210        {mso-level-number-format:roman-lower;
1211        mso-level-tab-stop:none;
1212        mso-level-number-position:right;
1213        text-indent:-9.0pt;}
1214@list l1:level4
1215        {mso-level-tab-stop:none;
1216        mso-level-number-position:left;
1217        text-indent:-.25in;}
1218@list l1:level5
1219        {mso-level-number-format:alpha-lower;
1220        mso-level-tab-stop:none;
1221        mso-level-number-position:left;
1222        text-indent:-.25in;}
1223@list l1:level6
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1277</head>
1278
1279<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1280
1281<div class=WordSection1>
1282
1283<h1>Magnetic Structures in GSAS-II - IV<o:p></o:p></h1>
1284
1285<h2>Introduction<o:p></o:p></h2>
1286
1287<p class=MsoNormal>In this tutorial, we will show how GSAS-II makes use of the
1288Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1289<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1290k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1291style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1292class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1293class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1294Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1295to determine a magnetic crystal structure with a non-zero propagation vector.
1296If you have not done so already, you may wish to do the Simple Magnetic
1297Structures tutorial first as it contains some background information that will
1298not be covered here. It is also helpful to do parts I - III of the series of
1299Magnetic Structures tutorials. To make this work, your computer must have an
1300internet connection for GSAS-II to access this site. (We will supply the
1301project file that results after k-SUBGROUPSMAG is called in case you lack
1302internet access).<o:p></o:p></p>
1303
1304<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1305 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1326 <v:imagedata src="Magnetic-IV_files/image005.png" o:title=""/>
1327</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1328src="Magnetic-IV_files/image006.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1329
1330<p class=MsoNormal>In this tutorial we will be examining the perovskite (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1331class=GramE>)MnO<sub>3</sub></span>, which at low temperature is a doubled <span
1332class=SpellE>a,b,c</span>-axis variant due to a rotation of the MnO<sub>6</sub>
1333<span class=SpellE>octahedra</span> about the assigned c-axis (drawing above)
1334to give the <span class=SpellE>Fmmm</span>, a=7.508, b=7.812, c=7.684 Å unit
1335cell. The neutron powder diffraction data was collected on the 3T2
1336diffractometer (LLB, <span class=SpellE>Saclay</span> France) at 10K and
1337&#955;=1.227 Å and this tutorial is based on Example 12.3 in the Jana2006
1338Cookbook (<span class=SpellE>Dušek</span>, et al., 2017). The antiferromagnetic
1339structure was originally determined by <span class=SpellE><span
1340style='font-size:11.5pt'>Knížek</span></span><span class=GramE><span
1341style='font-size:11.5pt'>, <span style='mso-spacerun:yes'> </span>et</span></span><span
1342style='font-size:11.5pt'> al. (K. <span class=SpellE>Knížek</span>, J. <span
1343class=SpellE>Hejtmánek</span>, and Z. <span class=SpellE>Jirák</span>, C.
1344Martin, M. <span class=SpellE>Hervieu</span>, and B. <span class=SpellE>Raveau</span>,
1345G. André and F. <span class=SpellE>Bourée</span>, <i style='mso-bidi-font-style:
1346normal'>Chemistry of Materials</i>, (2004), <b style='mso-bidi-font-weight:
1347normal'>16</b>, 1104-1110). As we will see the magnetic space group is a
1348subgroup of <span class=SpellE>Fmmm</span> principally by a loss of some of the
1349face centering symmetry. </span>We will use k-SUBGROUPSMAG to help sort this
1350out.<o:p></o:p></p>
1351
1352<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1353
1354<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1355about the internet connection!).<o:p></o:p></p>
1356
1357<h3>Step 1. Read in the data file<o:p></o:p></h3>
1358
1359<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo1'><![if !supportLists]><span
1360style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1361style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1362the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1363mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1364minor-latin'>Import/Powder Data/from <span class=SpellE>gsas</span> powder data
1365file</span></b> menu item to read the data file into the current GSAS-II
1366project. Because you used <span style='mso-fareast-font-family:Calibri;
1367mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1368normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1369minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1370mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1371style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1372menu entry to open this page and downloaded the exercise files (recommended),
1373then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1374"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1375Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-IV/data/...</span></b><span
1376style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1377entry will bring you to the location where the files have been downloaded. (It
1378is also possible to download them manually from <a
1379href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data/</a>.
1380In this case you will need to navigate to the download location manually.)<br>
1381For this tutorial the extension on the data file is the expected one, so it
1382should be immediately visible.</span></p>
1383
1384<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo1'><![if !supportLists]><span
1385style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1386style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1387the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1388style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1389mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.gda</span></b></span><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'> data</span>
1392file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1393style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1394mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1395There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
1396normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1397minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1398style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1399mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1400minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1401style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1402mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1403minor-latin'>Yes</span></b></span> button to proceed.<o:p></o:p></p>
1404
1405<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo1'><![if !supportLists]><span
1406style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1407style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1408this data file does not define an instrument parameter file, a file dialog will
1409appear for you to select the correct instrument parameter file. Select <span
1410class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1411"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1412minor-latin;mso-bidi-theme-font:minor-latin'>Saclay</span></b></span><b
1413style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1414mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1415minor-latin'> 3T2. <span class=SpellE><span class=GramE>instprm</span></span></span></b>;
1416you may have to change the file type in the file selection Dialog box to <b
1417style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1418mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1419minor-latin'>GSAS-II <span class=SpellE>instparm</span> file</span></b> to see
1420it. At this point the <b style='mso-bidi-font-weight:normal'><span
1421style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1422mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1423tree</span></b> window will have several entries and the plot window will show
1424the powder pattern</p>
1425
1426<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1427 id="Picture_x0020_4" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:323.25pt;
1428 height:287.25pt;visibility:visible;mso-wrap-style:square'>
1429 <v:imagedata src="Magnetic-IV_files/image007.png" o:title=""/>
1430</v:shape><![endif]--><![if !vml]><img border=0 width=431 height=383
1431src="Magnetic-IV_files/image008.gif" v:shapes="Picture_x0020_4"><![endif]></span><o:p></o:p></p>
1432
1433<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo1'><![if !supportLists]><span
1434style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1435style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>The
1436last few points in the profile are problematic; I set the upper Limit to <b
1437style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1438mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1439minor-latin'>123.5</span></b> to avoid them.</p>
1440
1441<h3>Step 2. Read in the chemical structure for (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1442class=GramE>)MnO<sub>3</sub></span><o:p></o:p></h3>
1443
1444<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo3'><![if !supportLists]><span
1445style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1446style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1447the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1448mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1449minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1450information for (Pr<sub>.5</sub>Sr<sub>.5</sub><span class=GramE>)MnO<sub>3</sub></span>
1451into the current GSAS-II project. The file you want is <span class=SpellE><b
1452style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1453mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1454minor-latin'>PrSrMnO.cif</span></b></span> and should be in your current
1455directory. Other submenu items can read phase information in other
1456formats.<span style='mso-spacerun:yes'>  </span><o:p></o:p></p>
1457
1458<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo3'><![if !supportLists]><span
1459style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1460style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1461the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1462style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1463mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO.cif</span></b></span><b
1464style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1465mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1466minor-latin'> </span></b><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'>data</span> file in the first dialog and press <b
1469style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1470mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1471minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1472class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1473"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1474minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1475style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1476mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1477minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1478style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1479mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1480minor-latin'>Yes</span></b></span> button to proceed. You will get the
1481opportunity to change the phase name next (I changed it to <b style='mso-bidi-font-weight:
1482normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1483minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>);
1484press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1485mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1486minor-latin'>OK</span></b> to continue.<o:p></o:p></p>
1487
1488<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo1'><![if !supportLists]><span
1489style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1490style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1491is the histogram selection window; this connects the phase to the data so it
1492can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span>Select
1493the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1494style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1495mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1496and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1497mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1498minor-latin'>OK</span></b>. The General tab for the phase is shown next</p>
1499
1500<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1501 id="Picture_x0020_5" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:324.75pt;
1502 height:174pt;visibility:visible;mso-wrap-style:square'>
1503 <v:imagedata src="Magnetic-IV_files/image009.png" o:title=""/>
1504</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=232
1505src="Magnetic-IV_files/image010.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1506
1507<h3>Step 3. Check powder pattern indexing<o:p></o:p></h3>
1508
1509<p class=MsoNormal>Here the objective is to determine how the reflection
1510positions generated from the chemical (“nuclear”) crystal structure lattice
1511match up with the peaks observed for this antiferromagnet. <o:p></o:p></p>
1512
1513<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Select <b
1514style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1515mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1516minor-latin'>Unit Cells List</span></b> from the tree entries under the
1517histogram (begins with PWDR); the Indexing controls will be shown<br>
1518<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1519 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:369pt;height:128.25pt;
1520 visibility:visible;mso-wrap-style:square'>
1521 <v:imagedata src="Magnetic-IV_files/image011.png" o:title=""/>
1522</v:shape><![endif]--><![if !vml]><img border=0 width=492 height=171
1523src="Magnetic-IV_files/image012.gif" v:shapes="Picture_x0020_6"><![endif]></span><br>
1524<span class=GramE>This</span> can use lattice parameters &amp; space groups to
1525generate expected reflection positions to check against the peaks in the powder
1526pattern. One could then enter this information by hand, but the easy way is to
1527use the chemical lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1528style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1529mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1530Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1531appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1532style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1533mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>).
1534This was taken from the Phases present in this project; there could be more
1535than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1536normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1537minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1538menu item allows you to get lattice information from any one of the other phase
1539containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1540style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1541mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1542and the Indexing controls will be change<br>
1543<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1544 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:362.25pt;height:126pt;
1545 visibility:visible;mso-wrap-style:square'>
1546 <v:imagedata src="Magnetic-IV_files/image013.png" o:title=""/>
1547</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=168
1548src="Magnetic-IV_files/image014.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
1549
1550<p class=MsoNormal><span class=GramE>showing</span> the lattice constants for (Pr<sub>.5</sub>Sr<sub>.5</sub>)MnO<sub>3</sub>
1551you had obtained from the <span class=SpellE>cif</span> file and the powder
1552pattern will change showing the lines for F mmm and those lattice parameters.</p>
1553
1554<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1555 id="Picture_x0020_9" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:360.75pt;
1556 height:320.25pt;visibility:visible;mso-wrap-style:square'>
1557 <v:imagedata src="Magnetic-IV_files/image015.png" o:title=""/>
1558</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1559src="Magnetic-IV_files/image016.gif" v:shapes="Picture_x0020_9"><![endif]></span><o:p></o:p></p>
1560
1561<p class=MsoNormal>I’ve zoomed into the 6-40 <span class=SpellE>deg</span>
1562range to see that a number of peaks are not indexed by this space group (NB: F
1563mmm lacks space group extinctions apart from F-centering so there is no need to
1564change it as in previous tutorials) and lattice. As noted in the previous
1565tutorial, antiferromagnetic ordering may force an increase in the unit cell
1566dimensions (usually a doubling or tripling of one or more cell dimensions) or
1567by removing a space group centering. Here we are starting with an F-centered chemical
1568cell so a loss of centering to get either A-, B- or C- centering is a
1569possibility to consider. To explore this we will try each in turn and see how
1570the generated reflection positions match up with the observed peaks. </p>
1571
1572<p class=MsoNormal>Change the <span class=SpellE>Bravais</span> lattice to <span
1573class=SpellE>Ammm</span> and the Space group to <span class=GramE>A</span> m <span
1574class=SpellE>m</span> <span class=SpellE>m</span>; the plot will change on each
1575choice to give</p>
1576
1577<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1578 id="Picture_x0020_10" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:357.75pt;
1579 height:317.25pt;visibility:visible;mso-wrap-style:square'>
1580 <v:imagedata src="Magnetic-IV_files/image019.png" o:title=""/>
1581</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=423
1582src="Magnetic-IV_files/image031.gif" v:shapes="Picture_x0020_10"><![endif]></span><o:p></o:p></p>
1583
1584<p class=MsoListParagraph style='margin-left:0in;mso-add-space:auto'>Those line
1585up pretty well; note the lowest angle peak &amp; the one at about 21º2&#920;.
1586Now change <span class=SpellE>Bravais</span> lattice and Space group to B mmm;
1587a new plot will appear<o:p></o:p></p>
1588
1589<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1590 id="Picture_x0020_11" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:360.75pt;
1591 height:320.25pt;visibility:visible;mso-wrap-style:square'>
1592 <v:imagedata src="Magnetic-IV_files/image021.png" o:title=""/>
1593</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=427
1594src="Magnetic-IV_files/image032.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1595
1596<p class=MsoNormal>The match is not quite as good; the 1<sup>st</sup> line just
1597misses the 1<sup>st</sup> peak top and the one at 21º2&#920; also misses the
1598peak top. Lastly, let’s try <span class=SpellE>Cmmm</span>; enter it for <span
1599class=SpellE>Bravais</span> lattice and space group. A new plot appears</p>
1600
1601<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1602 id="Picture_x0020_12" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:363pt;
1603 height:322.5pt;visibility:visible;mso-wrap-style:square'>
1604 <v:imagedata src="Magnetic-IV_files/image023.png" o:title=""/>
1605</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=430
1606src="Magnetic-IV_files/image033.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
1607
1608<p class=MsoNormal>This fit seems even worse, so the right description is lose
1609the B- and C-centering leaving just A-centering. However, we want the A-center
1610to be magnetic; the way to do this is to assign the propagation vector <span
1611class=SpellE>k<sub>x</sub><span class=GramE>,k<sub>y</sub>,k<sub>z</sub></span></span>
1612= (1,0,0) when we run k-SUBGROUPSMAG on the parent space group (<span
1613class=SpellE>Fmmm</span>).</p>
1614
1615<h3>Step 4. Run k-SUBGROUPSMAG<o:p></o:p></h3>
1616
1617<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1618crystallographic server so you must be connected to the internet. In the Cell
1619Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1620style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1621mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1622k-SUBGROUPSMAG</span></b>; a small popup dialog will appear<o:p></o:p></p>
1623
1624<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1625 id="Picture_x0020_14" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:166.5pt;
1626 height:278.25pt;visibility:visible;mso-wrap-style:square'>
1627 <v:imagedata src="Magnetic-IV_files/image025.png" o:title=""/>
1628</v:shape><![endif]--><![if !vml]><img border=0 width=222 height=371
1629src="Magnetic-IV_files/image034.gif" v:shapes="Picture_x0020_14"><![endif]></span><o:p></o:p></p>
1630
1631<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1632space group (F mmm) is taken from the Space Group entry on the Unit Cells
1633window. Since we just discovered the prop<span class=SpellE>agation</span>
1634vector as (1<span class=GramE>,0,0</span>) change <b style='mso-bidi-font-weight:
1635normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1636minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kx1</span></b>
1637to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1638mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1639minor-latin'>1</span></b>. The available selections were determined by
1640surveying the known magnetic crystal structures given in the Bilbao Magnetic
1641Structures database. Select <span class=SpellE><b style='mso-bidi-font-weight:
1642normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1643minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
1644for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1645mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1646minor-latin'>test for mag atoms</span></b> and then press <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'>OK</span></b>.
1649A popup dialog will appear reminding you how to cite the Bilbao routine in any
1650paper you write using this facility.<o:p></o:p></p>
1651
1652<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1653 id="_x0000_i1036" type="#_x0000_t75" style='width:357.75pt;height:123.75pt;
1654 visibility:visible;mso-wrap-style:square'>
1655 <v:imagedata src="Magnetic-IV_files/image027.png" o:title=""/>
1656</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1657src="Magnetic-IV_files/image035.gif" v:shapes="_x0000_i1036"><![endif]></span><o:p></o:p></p>
1658
1659<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1660style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1661mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1662the nag note will also appear on the console and after a pause, the console
1663will show “request OK” indicating that the Bilbao site has responded with some
1664results. GSAS-II will next display a File Dialog asking for a project name to
1665save this project; change the directory to a useful place for your work on this
1666tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1667normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1668minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.<o:p></o:p></span></b></p>
1669
1670<p class=MsoNormal>The GSAS-II data window will display the results from
1671k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1672this file is located in the same location as the powder data and <span
1673class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
1674normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1675minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
1676Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1677normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1678minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>”,
1679then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1680style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1681mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span><b
1682style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1683mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1684minor-latin'> as</span></b> to save it immediately in your working directory.).
1685The Unit Cells List window will show the results<o:p></o:p></p>
1686
1687<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
1688style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1689mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin;mso-no-proof:
1690yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15" o:spid="_x0000_i1035"
1691 type="#_x0000_t75" style='width:360.75pt;height:323.25pt;visibility:visible;
1692 mso-wrap-style:square'>
1693 <v:imagedata src="Magnetic-IV_files/image029.png" o:title=""/>
1694</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=431
1695src="Magnetic-IV_files/image036.gif" v:shapes="Picture_x0020_15"><![endif]></span></b></p>
1696
1697<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
1698style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1699mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>preserve axes</span></b>
1700option on the k-SUBGROUPSMAG is set by default to transform the standard
1701setting result from k-SUBGROUPSMAG for orthorhombic to one that closely is
1702aligned, if possible, to the parent cell axes. So this list contains
1703non-standard settings of orthorhombic space groups (e.g. the chemical version
1704of #3 P<sub>C</sub> <span class=SpellE>bmn</span> is a non-standard version of P
1705<span class=SpellE>mna</span>, #53 in International Tables for Crystallography
1706Vol A.). If desired, clearing the flag and rerunning k-SUBGROUPSMAG will produce
1707magnetic space groups in standard settings; we will continue with the above set
1708so the chemical cell and magnetic cell axes line up together.</p>
1709
1710<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1711style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1712mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1713on the 4 marked Keep out of the 1<sup>st</sup> 8 solutions. Only #7 &amp; #8
1714will index the low angle peaks correctly. We’ll go with these. The solutions
1715further down are ones in which more than one symmetry generator was removed; if
1716need be we can go back and look at those. NB: running k-SUBGROUPSMAG with the “Landau
1717transition” checked will give just these 1<sup>st</sup> 8 solutions. This might
1718be appropriate because the magnetic transition for (Pr<sub>.5</sub>Sr<sub>.5</sub><span
1719class=GramE>)MnO<sub>3</sub></span><sub> </sub>is a continuous 2<sup>nd</sup>
1720order transition. However, by doing this one might not see the correct result!</p>
1721
1722<h3>Step 5. Select 1<sup>st</sup> magnetic structure<o:p></o:p></h3>
1723
1724<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
1725style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1726mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3</span></b>
1727phase from the GSAS-II data tree (under Phases). The General tab is shown for
1728this nuclear phase.<o:p></o:p></p>
1729
1730<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1731 id="Picture_x0020_16" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:358.5pt;
1732 height:200.25pt;visibility:visible;mso-wrap-style:square'>
1733 <v:imagedata src="Magnetic-IV_files/image037.png" o:title=""/>
1734</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=267
1735src="Magnetic-IV_files/image038.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1736
1737<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1738style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1739mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1740magnetic phase</span></b>; that will make a small popup dialog<o:p></o:p></p>
1741
1742<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1743 id="Picture_x0020_17" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:276.75pt;
1744 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1745 <v:imagedata src="Magnetic-IV_files/image039.png" o:title=""/>
1746</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1747src="Magnetic-IV_files/image040.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1748
1749<p class=MsoNormal>This shows all magnetic phases that were marked <span
1750class=GramE>Keep</span> in the Unit Cells List; for each you see the
1751transformation and vector (the first two results we had checked to see if they
1752indexed the pattern). Select the 1<sup>st</sup> one and press <b
1753style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1754mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1755minor-latin'>OK</span></b>; a new popup dialog will appear.<o:p></o:p></p>
1756
1757<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1758 id="Picture_x0020_18" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:276.75pt;
1759 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1760 <v:imagedata src="Magnetic-IV_files/image041.png" o:title=""/>
1761</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=123
1762src="Magnetic-IV_files/image042.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1763
1764<p class=MsoNormal>This one <span class=SpellE>Mn</span> atom has an allowed
1765moment component (My). Press <span class=GramE>Yes</span> to use it. The
1766project will be saved first, then a file dialog box will appear offering a
1767project name for this magnetic structure. It is named with the number from the
1768space group list (<b style='mso-bidi-font-weight:normal'><span
1769style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1770mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3
1771mag_7.gpx</span></b>); press <b style='mso-bidi-font-weight:normal'><span
1772style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1773mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save.</span></b>
1774The new project will be opened to the General tab for the A<sub>B</sub> <span
1775class=SpellE>mma</span> magnetic phase just created.</p>
1776
1777<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1778 id="Picture_x0020_19" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:354pt;
1779 height:197.25pt;visibility:visible;mso-wrap-style:square'>
1780 <v:imagedata src="Magnetic-IV_files/image043.png" o:title=""/>
1781</v:shape><![endif]--><![if !vml]><img border=0 width=472 height=263
1782src="Magnetic-IV_files/image044.gif" v:shapes="Picture_x0020_19"><![endif]></span><o:p></o:p></p>
1783
1784<p class=MsoNormal>Select Atoms, enter <b style='mso-bidi-font-weight:normal'><span
1785style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1786mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>
1787for the <span class=SpellE>mn</span> atom <span class=GramE>My</span> values.
1788Then go to Draw Atoms, select them all and do <span class=GramE><b
1789style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1790mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1791minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
1792style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1793mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> Figure/Fill
1794unit cell</span></b>; you’ll see this antiferromagnetic structure<o:p></o:p></p>
1795
1796<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1797 id="Picture_x0020_20" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:5in;
1798 height:319.5pt;visibility:visible;mso-wrap-style:square'>
1799 <v:imagedata src="Magnetic-IV_files/image045.png" o:title=""/>
1800</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=426
1801src="Magnetic-IV_files/image046.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1802
1803<p class=MsoNormal>The <span class=SpellE>wR</span> ~26% with some intensity
1804for all the peaks in the pattern, but the magnetic moment is probably wrong. Go
1805to the magnetic phase Atoms tab and select refine <b style='mso-bidi-font-weight:
1806normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1807minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
1808for the <span class=SpellE>Mn</span> atom. Do <b style='mso-bidi-font-weight:
1809normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1810minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1811again; the residual drops a bit but now the errors seem to be mostly peak
1812position. Go to the General tab for both phases and check the <b
1813style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1814mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1815minor-latin'>Refine unit cell</span></b> box for each. Then go to <b
1816style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1817mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1818minor-latin'>Sample parameters</span></b> for the PWDR data set, set goniometer
1819radius to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1820mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1821minor-latin'>1000</span></b> and check both <b style='mso-bidi-font-weight:
1822normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1823minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
1824X &amp; Y <span class=SpellE>displ</span></span></b> parameters. Do <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'>Calculate/Refine</span></b> again; <span class=SpellE>wR</span> ~ 7%
1828now. To finish the refinement, include Instrument parameters <b
1829style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1830mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1831minor-latin'>U, V, W, X, Y and SH/L</span></b>; use <b style='mso-bidi-font-weight:
1832normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1833minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
1834Background term and refine <b style='mso-bidi-font-weight:normal'><span
1835style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1836mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
1837for all atoms in the chemical phase and <b style='mso-bidi-font-weight:normal'><span
1838style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1839mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
1840in the magnetic phase. After 2-3 sets of <b style='mso-bidi-font-weight:normal'><span
1841style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1842mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1843my residual was <span class=SpellE>wR</span>=6.15% and the magnetic <span
1844class=SpellE>Mn</span> atom moment <span class=SpellE>Mz</span> = 3.41. The fit
1845shown on the plot is quite good.</p>
1846
1847<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1848 id="Picture_x0020_21" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:356.25pt;
1849 height:316.5pt;visibility:visible;mso-wrap-style:square'>
1850 <v:imagedata src="Magnetic-IV_files/image047.png" o:title=""/>
1851</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=422
1852src="Magnetic-IV_files/image048.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1853
1854<p class=MsoNormal>I show the plot with <span class=SpellE><span class=GramE>sqrt</span></span><span
1855class=GramE>(</span>intensity) &amp; weighted difference curves; the latter is
1856clearly all within 2-3 <span style='font-family:Symbol'>s</span> of the
1857observed data. Now let’s try the other solution.</p>
1858
1859<h3>Step 6. Select 2nd magnetic structure<o:p></o:p></h3>
1860
1861<p class=MsoNormal>To continue the selection process, we need to use the saved
1862project used for the first selection because it contains the table of possible
1863magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
1864normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1865minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
1866project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
1867normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1868minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PrSrMnO3.gpx</span></b>;
1869you’ll see a reminder to save the old project (we just did this) and select the
1870<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1871mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1872minor-latin'>PrSrMnO3</span></b> phase (should be the only one); the General
1873tab will be shown</p>
1874
1875<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1876 id="Picture_x0020_22" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:5in;
1877 height:201pt;visibility:visible;mso-wrap-style:square'>
1878 <v:imagedata src="Magnetic-IV_files/image049.png" o:title=""/>
1879</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=268
1880src="Magnetic-IV_files/image050.gif" v:shapes="Picture_x0020_22"><![endif]></span><o:p></o:p></p>
1881
1882<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1883style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1884mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1885magnetic phase</span></b> from the menu; the popup should look like<o:p></o:p></p>
1886
1887<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1888 id="Picture_x0020_23" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:276.75pt;
1889 height:222.75pt;visibility:visible;mso-wrap-style:square'>
1890 <v:imagedata src="Magnetic-IV_files/image039.png" o:title=""/>
1891</v:shape><![endif]--><![if !vml]><img border=0 width=369 height=297
1892src="Magnetic-IV_files/image040.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1893
1894<p class=MsoNormal>We already tried the 1<sup>st</sup> one; now select the 2<sup>nd</sup>
1895and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1896mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1897minor-latin'>OK</span></b>; a popup will appear<o:p></o:p></p>
1898
1899<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1900 id="Picture_x0020_24" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:281.25pt;
1901 height:92.25pt;visibility:visible;mso-wrap-style:square'>
1902 <v:imagedata src="Magnetic-IV_files/image051.png" o:title=""/>
1903</v:shape><![endif]--><![if !vml]><img border=0 width=375 height=123
1904src="Magnetic-IV_files/image052.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1905
1906<p class=MsoNormal>In this case, the <span class=SpellE>Mn</span> atom has
1907allowed <span class=SpellE>Mx</span> &amp; <span class=SpellE>Mz</span>
1908components (the previous one had only <span class=GramE>My</span>). Press <span
1909class=GramE>Yes</span> to select it. The project will be saved and a new
1910project <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1911mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1912minor-latin'>PrSrMnO3 mag_8.gpx</span></b> will be created. The General tab for
1913this new phase will be shown</p>
1914
1915<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1916 id="Picture_x0020_25" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:355.5pt;
1917 height:209.25pt;visibility:visible;mso-wrap-style:square'>
1918 <v:imagedata src="Magnetic-IV_files/image053.png" o:title=""/>
1919</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=279
1920src="Magnetic-IV_files/image054.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
1921
1922<p class=MsoNormal>Select the Atoms tab &amp; set <span class=SpellE>Mx</span>
1923&amp; My for the <span class=SpellE>Mn</span> atom to <b style='mso-bidi-font-weight:
1924normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1925minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1.0</span></b>.
1926Then do the refinement steps we outlined for the 1<sup>st</sup> magnetic structure.
1927Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1928mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1929minor-latin'>Calculate/Refine</span></b> first. Then set the <b
1930style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1931mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1932minor-latin'>M</span></b> refine flags for the magnetic atoms; do <b
1933style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1934mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1935minor-latin'>Calculate/Refine</span></b>. Add <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'>sample
1938X &amp; Y displacements</span></b> (radius = <b style='mso-bidi-font-weight:
1939normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1940minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1000</span></b>)
1941and both lattice parameters; do <b style='mso-bidi-font-weight:normal'><span
1942style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1943mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1944</span></b>(<span class=GramE>wP~</span>11% - poorer than before). Then add
1945Instrument parameters <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'>U, V, W, X, Y
1948&amp; SH/L</span></b>; do <b style='mso-bidi-font-weight:normal'><span
1949style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1950mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine
1951</span></b>(<span class=SpellE>wR</span> ~10.75% - still poorer). Finally use <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'>6</span></b> background coefficients and refine <b
1955style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1956mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1957minor-latin'>XU</span></b> for the chemical phase atoms and <b
1958style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1959mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1960minor-latin'>XUM</span></b> for the magnetic atoms. Do <b style='mso-bidi-font-weight:
1961normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1962minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
1963a few times until it converges. I got <span class=SpellE>wR</span> = 10.2%
1964which is definitely poorer than the result for the first model. Therefore, the
1965model #7 is the correct one with magnetic space group A<sub>B</sub> <span
1966class=SpellE>mma</span> and a moment <span class=SpellE>m<sub>z</sub></span>=3.407(12)
1967on the <span class=SpellE>Mn</span> atom. Save the bad project if you wish.
1968This concludes the tutorial.<o:p></o:p></p>
1969
1970<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1971
1972</div>
1973
1974</body>
1975
1976</html>
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