source: Tutorials/Magnetic-V/Magnetic-V.htm @ 3650

Last change on this file since 3650 was 3650, checked in by vondreele, 3 years ago

new tutorial

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412  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
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414  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
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416  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
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427  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
428  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
429  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
430  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
431  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
432  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
433  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
434  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
435  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
436  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
437  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
438  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
439  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
440  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
441  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
442  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
443  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
444  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
445  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
446  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
447  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
448  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
449  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
450  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
451  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
452  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
453  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
454  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
455  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
456  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
457  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
458  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
459  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
460  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
461  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
462  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
463  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
464  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
465  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
466  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
467  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
468  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
469  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
470  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
471  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
472  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
473  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
474  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
475  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
476  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
477  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
478  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
479  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
480  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
481  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
482  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
483  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
484  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
485  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
486  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
487  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
488  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
489  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
490  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
491  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
492  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
493  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
494  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
495  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
496  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
497  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
498  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
499  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
500  <w:LsdException Locked="false" Priority="19" QFormat="true"
501   Name="Subtle Emphasis"/>
502  <w:LsdException Locked="false" Priority="21" QFormat="true"
503   Name="Intense Emphasis"/>
504  <w:LsdException Locked="false" Priority="31" QFormat="true"
505   Name="Subtle Reference"/>
506  <w:LsdException Locked="false" Priority="32" QFormat="true"
507   Name="Intense Reference"/>
508  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
509  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
510   UnhideWhenUsed="true" Name="Bibliography"/>
511  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
512   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
513  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
514  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
515  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
516  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
517  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
518  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
519  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
520  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
521  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
522  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
523  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
524  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
525  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
526  <w:LsdException Locked="false" Priority="46"
527   Name="Grid Table 1 Light Accent 1"/>
528  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
529  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
530  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
531  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
532  <w:LsdException Locked="false" Priority="51"
533   Name="Grid Table 6 Colorful Accent 1"/>
534  <w:LsdException Locked="false" Priority="52"
535   Name="Grid Table 7 Colorful Accent 1"/>
536  <w:LsdException Locked="false" Priority="46"
537   Name="Grid Table 1 Light Accent 2"/>
538  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
539  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
540  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
541  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
542  <w:LsdException Locked="false" Priority="51"
543   Name="Grid Table 6 Colorful Accent 2"/>
544  <w:LsdException Locked="false" Priority="52"
545   Name="Grid Table 7 Colorful Accent 2"/>
546  <w:LsdException Locked="false" Priority="46"
547   Name="Grid Table 1 Light Accent 3"/>
548  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
549  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
550  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
551  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
552  <w:LsdException Locked="false" Priority="51"
553   Name="Grid Table 6 Colorful Accent 3"/>
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555   Name="Grid Table 7 Colorful Accent 3"/>
556  <w:LsdException Locked="false" Priority="46"
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558  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
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560  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
561  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
562  <w:LsdException Locked="false" Priority="51"
563   Name="Grid Table 6 Colorful Accent 4"/>
564  <w:LsdException Locked="false" Priority="52"
565   Name="Grid Table 7 Colorful Accent 4"/>
566  <w:LsdException Locked="false" Priority="46"
567   Name="Grid Table 1 Light Accent 5"/>
568  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
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570  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
571  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
572  <w:LsdException Locked="false" Priority="51"
573   Name="Grid Table 6 Colorful Accent 5"/>
574  <w:LsdException Locked="false" Priority="52"
575   Name="Grid Table 7 Colorful Accent 5"/>
576  <w:LsdException Locked="false" Priority="46"
577   Name="Grid Table 1 Light Accent 6"/>
578  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
579  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
580  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
581  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
582  <w:LsdException Locked="false" Priority="51"
583   Name="Grid Table 6 Colorful Accent 6"/>
584  <w:LsdException Locked="false" Priority="52"
585   Name="Grid Table 7 Colorful Accent 6"/>
586  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
587  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
588  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
589  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
590  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
591  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
592  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
593  <w:LsdException Locked="false" Priority="46"
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595  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
596  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
597  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
598  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
599  <w:LsdException Locked="false" Priority="51"
600   Name="List Table 6 Colorful Accent 1"/>
601  <w:LsdException Locked="false" Priority="52"
602   Name="List Table 7 Colorful Accent 1"/>
603  <w:LsdException Locked="false" Priority="46"
604   Name="List Table 1 Light Accent 2"/>
605  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
606  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
607  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
608  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
609  <w:LsdException Locked="false" Priority="51"
610   Name="List Table 6 Colorful Accent 2"/>
611  <w:LsdException Locked="false" Priority="52"
612   Name="List Table 7 Colorful Accent 2"/>
613  <w:LsdException Locked="false" Priority="46"
614   Name="List Table 1 Light Accent 3"/>
615  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
616  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
617  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
618  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
619  <w:LsdException Locked="false" Priority="51"
620   Name="List Table 6 Colorful Accent 3"/>
621  <w:LsdException Locked="false" Priority="52"
622   Name="List Table 7 Colorful Accent 3"/>
623  <w:LsdException Locked="false" Priority="46"
624   Name="List Table 1 Light Accent 4"/>
625  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
626  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
627  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
628  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
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630   Name="List Table 6 Colorful Accent 4"/>
631  <w:LsdException Locked="false" Priority="52"
632   Name="List Table 7 Colorful Accent 4"/>
633  <w:LsdException Locked="false" Priority="46"
634   Name="List Table 1 Light Accent 5"/>
635  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
636  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
637  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
638  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
639  <w:LsdException Locked="false" Priority="51"
640   Name="List Table 6 Colorful Accent 5"/>
641  <w:LsdException Locked="false" Priority="52"
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643  <w:LsdException Locked="false" Priority="46"
644   Name="List Table 1 Light Accent 6"/>
645  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
646  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
647  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
648  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
649  <w:LsdException Locked="false" Priority="51"
650   Name="List Table 6 Colorful Accent 6"/>
651  <w:LsdException Locked="false" Priority="52"
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786        text-underline:single;}
787p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
788        {mso-style-noshow:yes;
789        mso-style-priority:99;
790        mso-style-link:"Document Map Char";
791        margin:0in;
792        margin-bottom:.0001pt;
793        mso-pagination:widow-orphan;
794        font-size:8.0pt;
795        font-family:"Tahoma",sans-serif;
796        mso-fareast-font-family:"Times New Roman";
797        mso-fareast-theme-font:minor-fareast;}
798p
799        {mso-style-noshow:yes;
800        mso-style-priority:99;
801        mso-margin-top-alt:auto;
802        margin-right:0in;
803        mso-margin-bottom-alt:auto;
804        margin-left:0in;
805        mso-pagination:widow-orphan;
806        font-size:12.0pt;
807        font-family:"Times New Roman",serif;
808        mso-fareast-font-family:"Times New Roman";
809        mso-fareast-theme-font:minor-fareast;}
810pre
811        {mso-style-noshow:yes;
812        mso-style-priority:99;
813        mso-style-link:"HTML Preformatted Char";
814        margin:0in;
815        margin-bottom:.0001pt;
816        mso-pagination:widow-orphan;
817        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;
818        font-size:10.0pt;
819        font-family:"Courier New";
820        mso-fareast-font-family:"Times New Roman";}
821p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
822        {mso-style-noshow:yes;
823        mso-style-priority:99;
824        mso-style-link:"Balloon Text Char";
825        margin:0in;
826        margin-bottom:.0001pt;
827        mso-pagination:widow-orphan;
828        font-size:8.0pt;
829        font-family:"Tahoma",sans-serif;
830        mso-fareast-font-family:"Times New Roman";
831        mso-fareast-theme-font:minor-fareast;}
832span.MsoPlaceholderText
833        {mso-style-noshow:yes;
834        mso-style-priority:99;
835        mso-style-unhide:no;
836        color:gray;}
837p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
838        {mso-style-noshow:yes;
839        mso-style-priority:1;
840        mso-style-unhide:no;
841        mso-style-qformat:yes;
842        mso-style-parent:"";
843        margin:0in;
844        margin-bottom:.0001pt;
845        mso-pagination:widow-orphan;
846        font-size:12.0pt;
847        font-family:"Times New Roman",serif;
848        mso-fareast-font-family:"Times New Roman";
849        mso-fareast-theme-font:minor-fareast;}
850p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
851        {mso-style-noshow:yes;
852        mso-style-priority:34;
853        mso-style-unhide:no;
854        mso-style-qformat:yes;
855        margin-top:0in;
856        margin-right:0in;
857        margin-bottom:0in;
858        margin-left:.5in;
859        margin-bottom:.0001pt;
860        mso-add-space:auto;
861        mso-pagination:widow-orphan;
862        font-size:12.0pt;
863        font-family:"Times New Roman",serif;
864        mso-fareast-font-family:"Times New Roman";
865        mso-fareast-theme-font:minor-fareast;}
866p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
867        {mso-style-noshow:yes;
868        mso-style-priority:34;
869        mso-style-unhide:no;
870        mso-style-qformat:yes;
871        mso-style-type:export-only;
872        margin-top:0in;
873        margin-right:0in;
874        margin-bottom:0in;
875        margin-left:.5in;
876        margin-bottom:.0001pt;
877        mso-add-space:auto;
878        mso-pagination:widow-orphan;
879        font-size:12.0pt;
880        font-family:"Times New Roman",serif;
881        mso-fareast-font-family:"Times New Roman";
882        mso-fareast-theme-font:minor-fareast;}
883p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
884        {mso-style-noshow:yes;
885        mso-style-priority:34;
886        mso-style-unhide:no;
887        mso-style-qformat:yes;
888        mso-style-type:export-only;
889        margin-top:0in;
890        margin-right:0in;
891        margin-bottom:0in;
892        margin-left:.5in;
893        margin-bottom:.0001pt;
894        mso-add-space:auto;
895        mso-pagination:widow-orphan;
896        font-size:12.0pt;
897        font-family:"Times New Roman",serif;
898        mso-fareast-font-family:"Times New Roman";
899        mso-fareast-theme-font:minor-fareast;}
900p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
901        {mso-style-noshow:yes;
902        mso-style-priority:34;
903        mso-style-unhide:no;
904        mso-style-qformat:yes;
905        mso-style-type:export-only;
906        margin-top:0in;
907        margin-right:0in;
908        margin-bottom:0in;
909        margin-left:.5in;
910        margin-bottom:.0001pt;
911        mso-add-space:auto;
912        mso-pagination:widow-orphan;
913        font-size:12.0pt;
914        font-family:"Times New Roman",serif;
915        mso-fareast-font-family:"Times New Roman";
916        mso-fareast-theme-font:minor-fareast;}
917span.MsoIntenseReference
918        {mso-style-priority:32;
919        mso-style-unhide:no;
920        mso-style-qformat:yes;
921        font-variant:small-caps;
922        color:#C0504D;
923        mso-themecolor:accent2;
924        letter-spacing:.25pt;
925        font-weight:bold;
926        text-decoration:underline;
927        text-underline:single;}
928span.Heading1Char
929        {mso-style-name:"Heading 1 Char";
930        mso-style-priority:9;
931        mso-style-unhide:no;
932        mso-style-locked:yes;
933        mso-style-link:"Heading 1";
934        mso-ansi-font-size:24.0pt;
935        mso-bidi-font-size:24.0pt;
936        font-family:"Times New Roman",serif;
937        mso-ascii-font-family:"Times New Roman";
938        mso-fareast-font-family:"Times New Roman";
939        mso-fareast-theme-font:minor-fareast;
940        mso-hansi-font-family:"Times New Roman";
941        mso-bidi-font-family:"Times New Roman";
942        mso-font-kerning:18.0pt;
943        font-weight:bold;}
944span.Heading2Char
945        {mso-style-name:"Heading 2 Char";
946        mso-style-priority:9;
947        mso-style-unhide:no;
948        mso-style-locked:yes;
949        mso-style-link:"Heading 2";
950        mso-ansi-font-size:18.0pt;
951        mso-bidi-font-size:18.0pt;
952        font-family:"Times New Roman",serif;
953        mso-ascii-font-family:"Times New Roman";
954        mso-fareast-font-family:"Times New Roman";
955        mso-fareast-theme-font:minor-fareast;
956        mso-hansi-font-family:"Times New Roman";
957        mso-bidi-font-family:"Times New Roman";
958        font-weight:bold;}
959span.Heading3Char
960        {mso-style-name:"Heading 3 Char";
961        mso-style-priority:9;
962        mso-style-unhide:no;
963        mso-style-locked:yes;
964        mso-style-link:"Heading 3";
965        mso-ansi-font-size:13.5pt;
966        mso-bidi-font-size:13.5pt;
967        font-family:"Times New Roman",serif;
968        mso-ascii-font-family:"Times New Roman";
969        mso-fareast-font-family:"Times New Roman";
970        mso-fareast-theme-font:minor-fareast;
971        mso-hansi-font-family:"Times New Roman";
972        mso-bidi-font-family:"Times New Roman";
973        font-weight:bold;}
974span.Heading4Char
975        {mso-style-name:"Heading 4 Char";
976        mso-style-noshow:yes;
977        mso-style-priority:9;
978        mso-style-unhide:no;
979        mso-style-locked:yes;
980        mso-style-link:"Heading 4";
981        mso-ansi-font-size:13.0pt;
982        mso-bidi-font-size:13.0pt;
983        font-family:"Cambria",serif;
984        mso-ascii-font-family:Cambria;
985        mso-ascii-theme-font:major-latin;
986        mso-fareast-font-family:"Times New Roman";
987        mso-fareast-theme-font:major-fareast;
988        mso-hansi-font-family:Cambria;
989        mso-hansi-theme-font:major-latin;
990        mso-bidi-font-family:"Times New Roman";
991        mso-bidi-theme-font:major-bidi;
992        color:#4F81BD;
993        mso-themecolor:accent1;
994        font-weight:bold;
995        font-style:italic;}
996span.Heading5Char
997        {mso-style-name:"Heading 5 Char";
998        mso-style-noshow:yes;
999        mso-style-priority:9;
1000        mso-style-unhide:no;
1001        mso-style-locked:yes;
1002        mso-style-link:"Heading 5";
1003        mso-ansi-font-size:12.0pt;
1004        mso-bidi-font-size:12.0pt;
1005        font-family:"Times New Roman",serif;
1006        mso-ascii-font-family:"Times New Roman";
1007        mso-fareast-font-family:"Times New Roman";
1008        mso-fareast-theme-font:minor-fareast;
1009        mso-hansi-font-family:"Times New Roman";
1010        mso-bidi-font-family:"Times New Roman";
1011        color:#4F4FFF;
1012        font-weight:bold;}
1013span.HTMLPreformattedChar
1014        {mso-style-name:"HTML Preformatted Char";
1015        mso-style-noshow:yes;
1016        mso-style-priority:99;
1017        mso-style-unhide:no;
1018        mso-style-locked:yes;
1019        mso-style-link:"HTML Preformatted";
1020        mso-ansi-font-size:10.0pt;
1021        mso-bidi-font-size:10.0pt;
1022        font-family:"Courier New";
1023        mso-ascii-font-family:"Courier New";
1024        mso-fareast-font-family:"Times New Roman";
1025        mso-hansi-font-family:"Courier New";
1026        mso-bidi-font-family:"Courier New";}
1027p.msonormal0, li.msonormal0, div.msonormal0
1028        {mso-style-name:msonormal;
1029        mso-style-noshow:yes;
1030        mso-style-priority:99;
1031        mso-style-unhide:no;
1032        mso-margin-top-alt:auto;
1033        margin-right:0in;
1034        mso-margin-bottom-alt:auto;
1035        margin-left:0in;
1036        mso-pagination:widow-orphan;
1037        font-size:12.0pt;
1038        font-family:"Times New Roman",serif;
1039        mso-fareast-font-family:"Times New Roman";
1040        mso-fareast-theme-font:minor-fareast;}
1041span.DocumentMapChar
1042        {mso-style-name:"Document Map Char";
1043        mso-style-noshow:yes;
1044        mso-style-priority:99;
1045        mso-style-unhide:no;
1046        mso-style-locked:yes;
1047        mso-style-link:"Document Map";
1048        mso-ansi-font-size:8.0pt;
1049        mso-bidi-font-size:8.0pt;
1050        font-family:"Tahoma",sans-serif;
1051        mso-ascii-font-family:Tahoma;
1052        mso-fareast-font-family:"Times New Roman";
1053        mso-fareast-theme-font:minor-fareast;
1054        mso-hansi-font-family:Tahoma;
1055        mso-bidi-font-family:Tahoma;}
1056span.BalloonTextChar
1057        {mso-style-name:"Balloon Text Char";
1058        mso-style-noshow:yes;
1059        mso-style-priority:99;
1060        mso-style-unhide:no;
1061        mso-style-locked:yes;
1062        mso-style-link:"Balloon Text";
1063        mso-ansi-font-size:8.0pt;
1064        mso-bidi-font-size:8.0pt;
1065        font-family:"Tahoma",sans-serif;
1066        mso-ascii-font-family:Tahoma;
1067        mso-fareast-font-family:"Times New Roman";
1068        mso-fareast-theme-font:minor-fareast;
1069        mso-hansi-font-family:Tahoma;
1070        mso-bidi-font-family:Tahoma;}
1071span.GSAS-IItextChar
1072        {mso-style-name:"GSAS-II text Char";
1073        mso-style-unhide:no;
1074        mso-style-locked:yes;
1075        mso-style-link:"GSAS-II text";
1076        mso-ansi-font-size:12.0pt;
1077        mso-bidi-font-size:12.0pt;
1078        font-family:"Times New Roman",serif;
1079        mso-ascii-font-family:"Times New Roman";
1080        mso-fareast-font-family:"Times New Roman";
1081        mso-fareast-theme-font:minor-fareast;
1082        mso-hansi-font-family:"Times New Roman";
1083        mso-bidi-font-family:Calibri;
1084        mso-bidi-theme-font:minor-latin;
1085        font-weight:bold;
1086        mso-bidi-font-weight:normal;}
1087p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1088        {mso-style-name:"GSAS-II text";
1089        mso-style-noshow:yes;
1090        mso-style-priority:99;
1091        mso-style-unhide:no;
1092        mso-style-link:"GSAS-II text Char";
1093        margin:0in;
1094        margin-bottom:.0001pt;
1095        mso-pagination:widow-orphan;
1096        font-size:12.0pt;
1097        font-family:"Calibri",sans-serif;
1098        mso-ascii-font-family:Calibri;
1099        mso-ascii-theme-font:minor-latin;
1100        mso-fareast-font-family:"Times New Roman";
1101        mso-fareast-theme-font:minor-fareast;
1102        mso-hansi-font-family:Calibri;
1103        mso-hansi-theme-font:minor-latin;
1104        mso-bidi-font-family:Calibri;
1105        mso-bidi-theme-font:minor-latin;
1106        font-weight:bold;
1107        mso-bidi-font-weight:normal;}
1108span.SpellE
1109        {mso-style-name:"";
1110        mso-spl-e:yes;}
1111span.GramE
1112        {mso-style-name:"";
1113        mso-gram-e:yes;}
1114.MsoChpDefault
1115        {mso-style-type:export-only;
1116        mso-default-props:yes;
1117        font-size:10.0pt;
1118        mso-ansi-font-size:10.0pt;
1119        mso-bidi-font-size:10.0pt;
1120        mso-ascii-font-family:Calibri;
1121        mso-ascii-theme-font:minor-latin;
1122        mso-fareast-font-family:Calibri;
1123        mso-fareast-theme-font:minor-latin;
1124        mso-hansi-font-family:Calibri;
1125        mso-hansi-theme-font:minor-latin;
1126        mso-bidi-font-family:"Times New Roman";
1127        mso-bidi-theme-font:minor-bidi;}
1128@page WordSection1
1129        {size:8.5in 11.0in;
1130        margin:1.0in 1.0in 1.0in 1.0in;
1131        mso-header-margin:.5in;
1132        mso-footer-margin:.5in;
1133        mso-paper-source:0;}
1134div.WordSection1
1135        {page:WordSection1;}
1136 /* List Definitions */
1137 @list l0
1138        {mso-list-id:202911215;
1139        mso-list-type:hybrid;
1140        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1141@list l0:level1
1142        {mso-level-tab-stop:none;
1143        mso-level-number-position:left;
1144        margin-left:.25in;
1145        text-indent:-.25in;}
1146@list l0:level2
1147        {mso-level-number-format:alpha-lower;
1148        mso-level-tab-stop:none;
1149        mso-level-number-position:left;
1150        margin-left:.75in;
1151        text-indent:-.25in;}
1152@list l0:level3
1153        {mso-level-number-format:roman-lower;
1154        mso-level-tab-stop:none;
1155        mso-level-number-position:right;
1156        margin-left:1.25in;
1157        text-indent:-9.0pt;}
1158@list l0:level4
1159        {mso-level-tab-stop:none;
1160        mso-level-number-position:left;
1161        margin-left:1.75in;
1162        text-indent:-.25in;}
1163@list l0:level5
1164        {mso-level-number-format:alpha-lower;
1165        mso-level-tab-stop:none;
1166        mso-level-number-position:left;
1167        margin-left:2.25in;
1168        text-indent:-.25in;}
1169@list l0:level6
1170        {mso-level-number-format:roman-lower;
1171        mso-level-tab-stop:none;
1172        mso-level-number-position:right;
1173        margin-left:2.75in;
1174        text-indent:-9.0pt;}
1175@list l0:level7
1176        {mso-level-tab-stop:none;
1177        mso-level-number-position:left;
1178        margin-left:3.25in;
1179        text-indent:-.25in;}
1180@list l0:level8
1181        {mso-level-number-format:alpha-lower;
1182        mso-level-tab-stop:none;
1183        mso-level-number-position:left;
1184        margin-left:3.75in;
1185        text-indent:-.25in;}
1186@list l0:level9
1187        {mso-level-number-format:roman-lower;
1188        mso-level-tab-stop:none;
1189        mso-level-number-position:right;
1190        margin-left:4.25in;
1191        text-indent:-9.0pt;}
1192@list l1
1193        {mso-list-id:359747963;
1194        mso-list-type:hybrid;
1195        mso-list-template-ids:927871442 -757201862 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1196@list l1:level1
1197        {mso-level-tab-stop:none;
1198        mso-level-number-position:left;
1199        margin-left:.25in;
1200        text-indent:-.25in;}
1201@list l1:level2
1202        {mso-level-number-format:alpha-lower;
1203        mso-level-tab-stop:none;
1204        mso-level-number-position:left;
1205        margin-left:.75in;
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        margin-left:1.25in;
1212        text-indent:-9.0pt;}
1213@list l1:level4
1214        {mso-level-tab-stop:none;
1215        mso-level-number-position:left;
1216        margin-left:1.75in;
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        margin-left:2.25in;
1223        text-indent:-.25in;}
1224@list l1:level6
1225        {mso-level-number-format:roman-lower;
1226        mso-level-tab-stop:none;
1227        mso-level-number-position:right;
1228        margin-left:2.75in;
1229        text-indent:-9.0pt;}
1230@list l1:level7
1231        {mso-level-tab-stop:none;
1232        mso-level-number-position:left;
1233        margin-left:3.25in;
1234        text-indent:-.25in;}
1235@list l1:level8
1236        {mso-level-number-format:alpha-lower;
1237        mso-level-tab-stop:none;
1238        mso-level-number-position:left;
1239        margin-left:3.75in;
1240        text-indent:-.25in;}
1241@list l1:level9
1242        {mso-level-number-format:roman-lower;
1243        mso-level-tab-stop:none;
1244        mso-level-number-position:right;
1245        margin-left:4.25in;
1246        text-indent:-9.0pt;}
1247@list l2
1248        {mso-list-id:393742284;
1249        mso-list-type:hybrid;
1250        mso-list-template-ids:1241536890 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1251@list l2:level1
1252        {mso-level-tab-stop:none;
1253        mso-level-number-position:left;
1254        text-indent:-.25in;}
1255@list l2:level2
1256        {mso-level-number-format:alpha-lower;
1257        mso-level-tab-stop:none;
1258        mso-level-number-position:left;
1259        text-indent:-.25in;}
1260@list l2:level3
1261        {mso-level-number-format:roman-lower;
1262        mso-level-tab-stop:none;
1263        mso-level-number-position:right;
1264        text-indent:-9.0pt;}
1265@list l2:level4
1266        {mso-level-tab-stop:none;
1267        mso-level-number-position:left;
1268        text-indent:-.25in;}
1269@list l2:level5
1270        {mso-level-number-format:alpha-lower;
1271        mso-level-tab-stop:none;
1272        mso-level-number-position:left;
1273        text-indent:-.25in;}
1274@list l2:level6
1275        {mso-level-number-format:roman-lower;
1276        mso-level-tab-stop:none;
1277        mso-level-number-position:right;
1278        text-indent:-9.0pt;}
1279@list l2:level7
1280        {mso-level-tab-stop:none;
1281        mso-level-number-position:left;
1282        text-indent:-.25in;}
1283@list l2:level8
1284        {mso-level-number-format:alpha-lower;
1285        mso-level-tab-stop:none;
1286        mso-level-number-position:left;
1287        text-indent:-.25in;}
1288@list l2:level9
1289        {mso-level-number-format:roman-lower;
1290        mso-level-tab-stop:none;
1291        mso-level-number-position:right;
1292        text-indent:-9.0pt;}
1293@list l3
1294        {mso-list-id:608973138;
1295        mso-list-type:hybrid;
1296        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1297@list l3:level1
1298        {mso-level-tab-stop:none;
1299        mso-level-number-position:left;
1300        margin-left:.25in;
1301        text-indent:-.25in;}
1302@list l3:level2
1303        {mso-level-number-format:alpha-lower;
1304        mso-level-tab-stop:none;
1305        mso-level-number-position:left;
1306        margin-left:.75in;
1307        text-indent:-.25in;}
1308@list l3:level3
1309        {mso-level-number-format:roman-lower;
1310        mso-level-tab-stop:none;
1311        mso-level-number-position:right;
1312        margin-left:1.25in;
1313        text-indent:-9.0pt;}
1314@list l3:level4
1315        {mso-level-tab-stop:none;
1316        mso-level-number-position:left;
1317        margin-left:1.75in;
1318        text-indent:-.25in;}
1319@list l3:level5
1320        {mso-level-number-format:alpha-lower;
1321        mso-level-tab-stop:none;
1322        mso-level-number-position:left;
1323        margin-left:2.25in;
1324        text-indent:-.25in;}
1325@list l3:level6
1326        {mso-level-number-format:roman-lower;
1327        mso-level-tab-stop:none;
1328        mso-level-number-position:right;
1329        margin-left:2.75in;
1330        text-indent:-9.0pt;}
1331@list l3:level7
1332        {mso-level-tab-stop:none;
1333        mso-level-number-position:left;
1334        margin-left:3.25in;
1335        text-indent:-.25in;}
1336@list l3:level8
1337        {mso-level-number-format:alpha-lower;
1338        mso-level-tab-stop:none;
1339        mso-level-number-position:left;
1340        margin-left:3.75in;
1341        text-indent:-.25in;}
1342@list l3:level9
1343        {mso-level-number-format:roman-lower;
1344        mso-level-tab-stop:none;
1345        mso-level-number-position:right;
1346        margin-left:4.25in;
1347        text-indent:-9.0pt;}
1348@list l4
1349        {mso-list-id:681592023;
1350        mso-list-type:hybrid;
1351        mso-list-template-ids:-1677018064 1906637506 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1352@list l4:level1
1353        {mso-level-tab-stop:none;
1354        mso-level-number-position:left;
1355        text-indent:-.25in;}
1356@list l4:level2
1357        {mso-level-number-format:alpha-lower;
1358        mso-level-tab-stop:none;
1359        mso-level-number-position:left;
1360        text-indent:-.25in;}
1361@list l4:level3
1362        {mso-level-number-format:roman-lower;
1363        mso-level-tab-stop:none;
1364        mso-level-number-position:right;
1365        text-indent:-9.0pt;}
1366@list l4:level4
1367        {mso-level-tab-stop:none;
1368        mso-level-number-position:left;
1369        text-indent:-.25in;}
1370@list l4:level5
1371        {mso-level-number-format:alpha-lower;
1372        mso-level-tab-stop:none;
1373        mso-level-number-position:left;
1374        text-indent:-.25in;}
1375@list l4:level6
1376        {mso-level-number-format:roman-lower;
1377        mso-level-tab-stop:none;
1378        mso-level-number-position:right;
1379        text-indent:-9.0pt;}
1380@list l4:level7
1381        {mso-level-tab-stop:none;
1382        mso-level-number-position:left;
1383        text-indent:-.25in;}
1384@list l4:level8
1385        {mso-level-number-format:alpha-lower;
1386        mso-level-tab-stop:none;
1387        mso-level-number-position:left;
1388        text-indent:-.25in;}
1389@list l4:level9
1390        {mso-level-number-format:roman-lower;
1391        mso-level-tab-stop:none;
1392        mso-level-number-position:right;
1393        text-indent:-9.0pt;}
1394@list l5
1395        {mso-list-id:961418051;
1396        mso-list-type:hybrid;
1397        mso-list-template-ids:-1150113346 -757201862 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1398@list l5:level1
1399        {mso-level-tab-stop:none;
1400        mso-level-number-position:left;
1401        margin-left:.25in;
1402        text-indent:-.25in;}
1403@list l5:level2
1404        {mso-level-number-format:alpha-lower;
1405        mso-level-tab-stop:none;
1406        mso-level-number-position:left;
1407        margin-left:45.0pt;
1408        text-indent:-.25in;}
1409@list l5:level3
1410        {mso-level-number-format:roman-lower;
1411        mso-level-tab-stop:none;
1412        mso-level-number-position:right;
1413        margin-left:81.0pt;
1414        text-indent:-9.0pt;}
1415@list l5:level4
1416        {mso-level-tab-stop:none;
1417        mso-level-number-position:left;
1418        margin-left:117.0pt;
1419        text-indent:-.25in;}
1420@list l5:level5
1421        {mso-level-number-format:alpha-lower;
1422        mso-level-tab-stop:none;
1423        mso-level-number-position:left;
1424        margin-left:153.0pt;
1425        text-indent:-.25in;}
1426@list l5:level6
1427        {mso-level-number-format:roman-lower;
1428        mso-level-tab-stop:none;
1429        mso-level-number-position:right;
1430        margin-left:189.0pt;
1431        text-indent:-9.0pt;}
1432@list l5:level7
1433        {mso-level-tab-stop:none;
1434        mso-level-number-position:left;
1435        margin-left:225.0pt;
1436        text-indent:-.25in;}
1437@list l5:level8
1438        {mso-level-number-format:alpha-lower;
1439        mso-level-tab-stop:none;
1440        mso-level-number-position:left;
1441        margin-left:261.0pt;
1442        text-indent:-.25in;}
1443@list l5:level9
1444        {mso-level-number-format:roman-lower;
1445        mso-level-tab-stop:none;
1446        mso-level-number-position:right;
1447        margin-left:297.0pt;
1448        text-indent:-9.0pt;}
1449@list l6
1450        {mso-list-id:963118815;
1451        mso-list-type:hybrid;
1452        mso-list-template-ids:-1617130662 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1453@list l6:level1
1454        {mso-level-tab-stop:none;
1455        mso-level-number-position:left;
1456        text-indent:-.25in;}
1457@list l6:level2
1458        {mso-level-number-format:alpha-lower;
1459        mso-level-tab-stop:none;
1460        mso-level-number-position:left;
1461        text-indent:-.25in;}
1462@list l6:level3
1463        {mso-level-number-format:roman-lower;
1464        mso-level-tab-stop:none;
1465        mso-level-number-position:right;
1466        text-indent:-9.0pt;}
1467@list l6:level4
1468        {mso-level-tab-stop:none;
1469        mso-level-number-position:left;
1470        text-indent:-.25in;}
1471@list l6:level5
1472        {mso-level-number-format:alpha-lower;
1473        mso-level-tab-stop:none;
1474        mso-level-number-position:left;
1475        text-indent:-.25in;}
1476@list l6:level6
1477        {mso-level-number-format:roman-lower;
1478        mso-level-tab-stop:none;
1479        mso-level-number-position:right;
1480        text-indent:-9.0pt;}
1481@list l6:level7
1482        {mso-level-tab-stop:none;
1483        mso-level-number-position:left;
1484        text-indent:-.25in;}
1485@list l6:level8
1486        {mso-level-number-format:alpha-lower;
1487        mso-level-tab-stop:none;
1488        mso-level-number-position:left;
1489        text-indent:-.25in;}
1490@list l6:level9
1491        {mso-level-number-format:roman-lower;
1492        mso-level-tab-stop:none;
1493        mso-level-number-position:right;
1494        text-indent:-9.0pt;}
1495@list l7
1496        {mso-list-id:974749577;
1497        mso-list-type:hybrid;
1498        mso-list-template-ids:-1150113346 -757201862 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1499@list l7:level1
1500        {mso-level-tab-stop:none;
1501        mso-level-number-position:left;
1502        margin-left:63.0pt;
1503        text-indent:-.25in;}
1504@list l7:level2
1505        {mso-level-number-format:alpha-lower;
1506        mso-level-tab-stop:none;
1507        mso-level-number-position:left;
1508        margin-left:1.25in;
1509        text-indent:-.25in;}
1510@list l7:level3
1511        {mso-level-number-format:roman-lower;
1512        mso-level-tab-stop:none;
1513        mso-level-number-position:right;
1514        margin-left:1.75in;
1515        text-indent:-9.0pt;}
1516@list l7:level4
1517        {mso-level-tab-stop:none;
1518        mso-level-number-position:left;
1519        margin-left:2.25in;
1520        text-indent:-.25in;}
1521@list l7:level5
1522        {mso-level-number-format:alpha-lower;
1523        mso-level-tab-stop:none;
1524        mso-level-number-position:left;
1525        margin-left:2.75in;
1526        text-indent:-.25in;}
1527@list l7:level6
1528        {mso-level-number-format:roman-lower;
1529        mso-level-tab-stop:none;
1530        mso-level-number-position:right;
1531        margin-left:3.25in;
1532        text-indent:-9.0pt;}
1533@list l7:level7
1534        {mso-level-tab-stop:none;
1535        mso-level-number-position:left;
1536        margin-left:3.75in;
1537        text-indent:-.25in;}
1538@list l7:level8
1539        {mso-level-number-format:alpha-lower;
1540        mso-level-tab-stop:none;
1541        mso-level-number-position:left;
1542        margin-left:4.25in;
1543        text-indent:-.25in;}
1544@list l7:level9
1545        {mso-level-number-format:roman-lower;
1546        mso-level-tab-stop:none;
1547        mso-level-number-position:right;
1548        margin-left:4.75in;
1549        text-indent:-9.0pt;}
1550@list l8
1551        {mso-list-id:1262030806;
1552        mso-list-type:hybrid;
1553        mso-list-template-ids:1241536890 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1554@list l8:level1
1555        {mso-level-tab-stop:none;
1556        mso-level-number-position:left;
1557        text-indent:-.25in;}
1558@list l8:level2
1559        {mso-level-number-format:alpha-lower;
1560        mso-level-tab-stop:none;
1561        mso-level-number-position:left;
1562        text-indent:-.25in;}
1563@list l8:level3
1564        {mso-level-number-format:roman-lower;
1565        mso-level-tab-stop:none;
1566        mso-level-number-position:right;
1567        text-indent:-9.0pt;}
1568@list l8:level4
1569        {mso-level-tab-stop:none;
1570        mso-level-number-position:left;
1571        text-indent:-.25in;}
1572@list l8:level5
1573        {mso-level-number-format:alpha-lower;
1574        mso-level-tab-stop:none;
1575        mso-level-number-position:left;
1576        text-indent:-.25in;}
1577@list l8:level6
1578        {mso-level-number-format:roman-lower;
1579        mso-level-tab-stop:none;
1580        mso-level-number-position:right;
1581        text-indent:-9.0pt;}
1582@list l8:level7
1583        {mso-level-tab-stop:none;
1584        mso-level-number-position:left;
1585        text-indent:-.25in;}
1586@list l8:level8
1587        {mso-level-number-format:alpha-lower;
1588        mso-level-tab-stop:none;
1589        mso-level-number-position:left;
1590        text-indent:-.25in;}
1591@list l8:level9
1592        {mso-level-number-format:roman-lower;
1593        mso-level-tab-stop:none;
1594        mso-level-number-position:right;
1595        text-indent:-9.0pt;}
1596@list l9
1597        {mso-list-id:1703093655;
1598        mso-list-type:hybrid;
1599        mso-list-template-ids:-508281502 161375446 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1600@list l9:level1
1601        {mso-level-tab-stop:none;
1602        mso-level-number-position:left;
1603        text-indent:-.25in;}
1604@list l9:level2
1605        {mso-level-number-format:alpha-lower;
1606        mso-level-tab-stop:none;
1607        mso-level-number-position:left;
1608        text-indent:-.25in;}
1609@list l9:level3
1610        {mso-level-number-format:roman-lower;
1611        mso-level-tab-stop:none;
1612        mso-level-number-position:right;
1613        text-indent:-9.0pt;}
1614@list l9:level4
1615        {mso-level-tab-stop:none;
1616        mso-level-number-position:left;
1617        text-indent:-.25in;}
1618@list l9:level5
1619        {mso-level-number-format:alpha-lower;
1620        mso-level-tab-stop:none;
1621        mso-level-number-position:left;
1622        text-indent:-.25in;}
1623@list l9:level6
1624        {mso-level-number-format:roman-lower;
1625        mso-level-tab-stop:none;
1626        mso-level-number-position:right;
1627        text-indent:-9.0pt;}
1628@list l9:level7
1629        {mso-level-tab-stop:none;
1630        mso-level-number-position:left;
1631        text-indent:-.25in;}
1632@list l9:level8
1633        {mso-level-number-format:alpha-lower;
1634        mso-level-tab-stop:none;
1635        mso-level-number-position:left;
1636        text-indent:-.25in;}
1637@list l9:level9
1638        {mso-level-number-format:roman-lower;
1639        mso-level-tab-stop:none;
1640        mso-level-number-position:right;
1641        text-indent:-9.0pt;}
1642ol
1643        {margin-bottom:0in;}
1644ul
1645        {margin-bottom:0in;}
1646-->
1647</style>
1648<!--[if gte mso 10]>
1649<style>
1650 /* Style Definitions */
1651 table.MsoNormalTable
1652        {mso-style-name:"Table Normal";
1653        mso-tstyle-rowband-size:0;
1654        mso-tstyle-colband-size:0;
1655        mso-style-noshow:yes;
1656        mso-style-priority:99;
1657        mso-style-parent:"";
1658        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1659        mso-para-margin:0in;
1660        mso-para-margin-bottom:.0001pt;
1661        mso-pagination:widow-orphan;
1662        font-size:10.0pt;
1663        font-family:"Calibri",sans-serif;
1664        mso-ascii-font-family:Calibri;
1665        mso-ascii-theme-font:minor-latin;
1666        mso-hansi-font-family:Calibri;
1667        mso-hansi-theme-font:minor-latin;
1668        mso-bidi-font-family:"Times New Roman";
1669        mso-bidi-theme-font:minor-bidi;}
1670</style>
1671<![endif]--><!--[if gte mso 9]><xml>
1672 <o:shapedefaults v:ext="edit" spidmax="1026"/>
1673</xml><![endif]--><!--[if gte mso 9]><xml>
1674 <o:shapelayout v:ext="edit">
1675  <o:idmap v:ext="edit" data="1"/>
1676 </o:shapelayout></xml><![endif]-->
1677</head>
1678
1679<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1680
1681<div class=WordSection1>
1682
1683<h1>Magnetic Structures in GSAS-II - IV</h1>
1684
1685<h2>Introduction</h2>
1686
1687<p class=MsoNormal>In this tutorial, we will show how GSAS-II makes use of the
1688Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1689<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1690k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1691style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1692class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1693class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1694Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1695to determine a magnetic crystal structure with two non-zero propagation
1696vectors. If you have not done so already, you may wish to do the Simple
1697Magnetic Structures tutorial first as it contains some background information
1698that will not be covered here. It is also helpful to do parts I - IV of the
1699series of Magnetic Structures tutorials. To make this work, your computer must
1700have an internet connection for GSAS-II to access this site. (We will supply
1701the project file that results after k-SUBGROUPSMAG is called in case you lack
1702internet access).</p>
1703
1704<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1705 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1706 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1707 <v:stroke joinstyle="miter"/>
1708 <v:formulas>
1709  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1710  <v:f eqn="sum @0 1 0"/>
1711  <v:f eqn="sum 0 0 @1"/>
1712  <v:f eqn="prod @2 1 2"/>
1713  <v:f eqn="prod @3 21600 pixelWidth"/>
1714  <v:f eqn="prod @3 21600 pixelHeight"/>
1715  <v:f eqn="sum @0 0 1"/>
1716  <v:f eqn="prod @6 1 2"/>
1717  <v:f eqn="prod @7 21600 pixelWidth"/>
1718  <v:f eqn="sum @8 21600 0"/>
1719  <v:f eqn="prod @7 21600 pixelHeight"/>
1720  <v:f eqn="sum @10 21600 0"/>
1721 </v:formulas>
1722 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1723 <o:lock v:ext="edit" aspectratio="t"/>
1724</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1078" type="#_x0000_t75"
1725 style='width:358.5pt;height:477.75pt;visibility:visible;mso-wrap-style:square'>
1726 <v:imagedata src="Magnetic-V_files/image001.png" o:title=""/>
1727</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=637
1728src="Magnetic-V_files/image038.gif" v:shapes="Picture_x0020_1"><![endif]></span></p>
1729
1730<p class=MsoNormal>In this tutorial we will be examining Mn<sub>3</sub>O<sub>4</sub>
1731(<span class=SpellE>hausmannite</span>), which shows two apparent magnetic
1732phase transitions between the paramagnetic phase above T<sub>N</sub> = 41K and
1733the lowest temperature explored (4.7K). The paramagnetic phase of Mn<sub>3</sub>O<sub>4</sub>
1734is a tetragonal distortion of the cubic spinel structure (drawing above) with
1735space group I4<sub>1</sub>/<span class=SpellE>amd</span>, a=5.765 and c=9.442 Å
1736at room temperature.<span style='mso-spacerun:yes'>  </span>Time-of-flight
1737(TOF) neutron powder diffraction data of the paramagnetic phase was collected
1738on POWGEN (SNS, Oak Ridge National Laboratory) at 60K and the magnetic phase at
173910K with 2 frames of data for each. The magnetic structure was originally
1740determined by <span style='font-size:11.5pt'>Boucher, et al. (Boucher, B.,
1741Buhl, R. &amp; Perrin, M. (1971), J. Phys. Chem. Solids, 32, 2429-2437) and
1742reexamined by Jensen &amp; Nielsen (Jensen, J.B. &amp; Nielsen, O.V. J. Phys.
1743C: Solid State Phys. (1974), 7, 409-424). We will first refine the paramagnetic
1744phase and use that as the starting point for the magnetic structure determination.
1745As we will see the magnetic space group is a subgroup of I4<sub>1</sub>/<span
1746class=SpellE>amd</span> by both a loss the body centering symmetry and a unit
1747cell doubling along one of the equivalent tetragonal <span class=SpellE>a<span
1748class=GramE>,b</span></span>-axes. </span>We will use k-SUBGROUPSMAG to help
1749sort this out. NB: the <span class=SpellE>Bilboa</span> MAGNDATA data base
1750contains an entry for Mn<sub>3</sub>O<sub>4</sub> (#1.1), but it is for a
1751different phase of this material and is thus unrelated to this tutorial.</p>
1752
1753<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1754
1755<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1756about the internet connection!).</p>
1757
1758<h1>Refinement of paramagnetic Mn<sub>3</sub>O<sub>4</sub></h1>
1759
1760<h2><span style='mso-spacerun:yes'> </span>Step 1. Read in the data files</h2>
1761
1762<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1763text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1764style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1765style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1766the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1767mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1768minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1769Fit2D chi file</span></b> menu item to read the data file into the current
1770GSAS-II project. This read option is set to read the <span class=SpellE><b
1771style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1772mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1773minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
1774class=SpellE>Topas</span>, etc.<span style='mso-spacerun:yes'>  </span>Because
1775you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1776minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
1777style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1778mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1779minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
1780Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
1781downloaded the exercise files (recommended), then the </span><b
1782style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1783mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1784minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-V/data/...</span></b><span
1785style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1786entry will bring you to the location where the files have been downloaded. (It is
1787also possible to download them manually from <a
1788href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/</a>.
1789In this case you will need to navigate to the download location manually.)<br>
1790For this tutorial you will see the data file in the file browser, because the
1791extensions on data files are the expected ones.</span></p>
1792
1793<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1794text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1795style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1796style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1797the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1798mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1799minor-latin'>PG3_20256-2_60K.xye </span></b><span style='font-family:"Calibri",sans-serif;
1800mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1801minor-latin'>data</span> file in the first dialog and press <b
1802style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1803mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1804minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1805class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1806"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1807minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1808style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1809mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1810minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1811style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1812mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1813minor-latin'>Yes</span></b></span> button to proceed. <b style='mso-bidi-font-weight:
1814normal'>NB:</b> Don’t be tempted to read both data sets at once. The problem
1815with the <span class=SpellE>xye</span> format is that it has no provision for
1816identifying the instrument parameter file or the frame (“Bank”) number of the data.
1817If you did read both, then GSAS-II would use the <span class=SpellE>instprm</span>
1818file read in the next step and apply it inappropriately to both data sets. One
1819can recover from this error by selecting Instrument parameters and doing
1820Operations/Load parameters with the correct file. Since this data file does not
1821define an instrument parameter file, a file dialog will appear for you to
1822select the correct instrument parameter file. Select <b style='mso-bidi-font-weight:
1823normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1824minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Bank
18252.instprm</span></b>; you may have to change the file type in the file
1826selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1827style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1828mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II <span
1829class=SpellE>instprm</span> file</span></b> to see it. At this point the <b
1830style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1831mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1832minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
1833
1834<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1835 id="Picture_x0020_2" o:spid="_x0000_i1077" type="#_x0000_t75" style='width:339pt;
1836 height:214.5pt;visibility:visible;mso-wrap-style:square'>
1837 <v:imagedata src="Magnetic-V_files/image003.png" o:title=""/>
1838</v:shape><![endif]--><![if !vml]><img border=0 width=452 height=286
1839src="Magnetic-V_files/image039.gif" v:shapes="Picture_x0020_2"><![endif]></span></p>
1840
1841<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
1842plot window will show the powder pattern</p>
1843
1844<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1845 id="Picture_x0020_3" o:spid="_x0000_i1076" type="#_x0000_t75" style='width:341.25pt;
1846 height:303pt;visibility:visible;mso-wrap-style:square'>
1847 <v:imagedata src="Magnetic-V_files/image005.png" o:title=""/>
1848</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=404
1849src="Magnetic-V_files/image040.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1850
1851<p class=MsoNormal style='margin-left:.25in'><span class=GramE>which</span>
1852covers the d-spacing range 0.4-4.545 Å. This is the high resolution frame for
1853POWGEN and is collected by a selected setting of the beam choppers. Go to <b
1854style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1855mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1856minor-latin'>Limits</span></b></p>
1857
1858<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1859 id="Picture_x0020_4" o:spid="_x0000_i1075" type="#_x0000_t75" style='width:340.5pt;
1860 height:189pt;visibility:visible;mso-wrap-style:square'>
1861 <v:imagedata src="Magnetic-V_files/image007.png" o:title=""/>
1862</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=252
1863src="Magnetic-V_files/image041.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1864
1865<p class=MsoNormal style='margin-left:.25in'>We want to remove the
1866uninteresting high TOF part and limit the low TOF to something reasonable. I
1867used <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1868mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1869minor-latin'>12500</span></b> and <b style='mso-bidi-font-weight:normal'><span
1870style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1871mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>75000</span></b>;
1872the lower one corresponds to d<sub>min</sub>~0.55 Å and the upper one is just
1873beyond the last visible peak. Now we have to read the other frame.</p>
1874
1875<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1876text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1877style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1878style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Do
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'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1882Fit2D chi file</span></b> and select the <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'>PG3_20269-4_60K.xye
1885</span></b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1886minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>data</span>
1887file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1888style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1889mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1890There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
1891normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1892minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1893style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1894mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1895minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1896style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1897mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1898minor-latin'>Yes</span></b></span> button to proceed.</p>
1899
1900<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1901text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1902style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1903style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1904this data file does not define an instrument parameter file, a file dialog will
1905appear for you to select the correct instrument parameter file. Select <b
1906style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1907mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1908minor-latin'>Bank 4.instprm</span></b>; you may have to change the file type in
1909the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1910style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1911mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II <span
1912class=SpellE>instprm</span> file</span></b> to see it. At this point the <b
1913style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1914mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1915minor-latin'>GSAS-II data tree</span></b> window will have more entries </p>
1916
1917<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1918 id="Picture_x0020_5" o:spid="_x0000_i1074" type="#_x0000_t75" style='width:341.25pt;
1919 height:352.5pt;visibility:visible;mso-wrap-style:square'>
1920 <v:imagedata src="Magnetic-V_files/image009.png" o:title=""/>
1921</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=470
1922src="Magnetic-V_files/image042.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1923
1924<p class=MsoNormal style='margin-left:.25in'>And the plot will show this larger
1925d-spacing (1.15-9.0 Å) frame collected with a different set of chopper
1926settings. Notice that there is now a peak (d=4.94 Å) which was beyond the range
1927of the other frame. Go to <b style='mso-bidi-font-weight:normal'><span
1928style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1929mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Limits</span></b>
1930for this data set and set the upper limit to 125000; leave the lower limit as
1931it is.</p>
1932
1933<h2>Step 2. Read in the chemical structure for Mn<sub>3</sub>O<sub>4</sub> (<span
1934class=SpellE>hausmannite</span>)</h2>
1935
1936<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1937text-indent:-.25in;mso-list:l7 level1 lfo4'><![if !supportLists]><span
1938style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1939style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1940the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1941mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1942minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1943information for Mn<sub>3</sub>O<sub>4</sub> into the current GSAS-II project.
1944This read option is set to read Crystallographic Information Files (CIF). Other
1945submenu items will read phase information in other formats.<span
1946style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
1947Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1948normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1949minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1950mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1951style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1952menu entry to open this page and downloaded the exercise files (recommended),
1953then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1954"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1955Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-V/data/...</span></b><span
1956style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1957entry will bring you to the location where the files have been downloaded. (It
1958is also possible to download them manually from <a
1959href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/</a>.
1960In this case you will need to navigate to the download location manually.)</span></p>
1961
1962<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1963text-indent:-.25in;mso-list:l7 level1 lfo4'><![if !supportLists]><span
1964style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1965style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1966the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1967mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1968minor-latin'>Mn3O4-Hausmannite.cif</span></b><span style='font-family:"Calibri",sans-serif;
1969mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1970minor-latin'> data</span> file in the first dialog and press <b
1971style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1972mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1973minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1974class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1975"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1976minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1977style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1978mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1979minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1980style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1981mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1982minor-latin'>Yes</span></b></span> button to proceed. You will get the
1983opportunity to change the phase name next (I took out the space!); press <b
1984style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1985mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1986minor-latin'>OK</span></b> to continue.</p>
1987
1988<p class=MsoNormal>Next is the histogram selection window; this connects the
1989phase to the data so it can be used in subsequent calculations.<span
1990style='mso-no-proof:yes'> </span>Select the histograms (or press <b
1991style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1992mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1993minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
1994style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1995mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1996The General tab for the phase is shown next<br>
1997<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6"
1998 o:spid="_x0000_i1073" type="#_x0000_t75" style='width:362.25pt;height:201pt;
1999 visibility:visible;mso-wrap-style:square'>
2000 <v:imagedata src="Magnetic-V_files/image011.png" o:title=""/>
2001</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=268
2002src="Magnetic-V_files/image043.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
2003
2004<h3>Step 3. Structure refinement</h3>
2005
2006<p class=MsoNormal>We are now ready for initial refinement of scale and
2007background. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
2008"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2009minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> from the
2010main menu; a File Selection dialog will appear wanting a file name for your
2011project. I used <b style='mso-bidi-font-weight:normal'><span style='font-family:
2012"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2013minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 60K</span></b>; the
2014refinement proceeded quickly. The fit is ok for a start (<span class=SpellE>wR</span>
2015~23%), mostly from poorly fitting background; select <b style='mso-bidi-font-weight:
2016normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2017minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
2018for both PWDR data sets and change the number of terms to 6. Then go to the <b
2019style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2020mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2021minor-latin'>Mn3O4</span></b> phase and set the lattice parameter refinement.
2022Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2023mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2024minor-latin'>Calculate/Refine</span></b>; the residual will be much improved (<span
2025class=SpellE>wR</span>=13.4%). Finally, go to the <b style='mso-bidi-font-weight:
2026normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2027minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2028tab and set refinement flags <b style='mso-bidi-font-weight:normal'><span
2029style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2030mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
2031for all atoms. Do <b style='mso-bidi-font-weight:normal'><span
2032style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2033mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>;
2034the residual will be a bit better (<span class=SpellE>wR</span> = 10.16%). This
2035is a pretty good fit; we should be able to get as good a fit with the magnetic
2036structure. We are done with this step; <span class=GramE><b style='mso-bidi-font-weight:
2037normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2038minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span>
2039the project &amp; close GSAS-II; we will use this phase information for the
2040magnetic structure study.</p>
2041
2042<h1>The magnetic structure of Mn<sub>3</sub>O<sub>4</sub> at 10K</h1>
2043
2044<h2>Step 1. Read in the data files</h2>
2045
2046<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
2047about the internet connection!).</p>
2048
2049<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
2050text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
2051style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2052style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
2053the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2054mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2055minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
2056Fit2D chi file</span></b> menu item to read the data file into the current
2057GSAS-II project. This read option is set to read the <span class=SpellE><b
2058style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2059mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2060minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
2061class=SpellE>Topas</span>, etc.<span style='mso-spacerun:yes'>  </span>Because
2062you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
2063minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
2064style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2065mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
2066minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
2067Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
2068downloaded the exercise files (recommended), then the </span><b
2069style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2070mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
2071minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-V/data/...</span></b><span
2072style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
2073entry will bring you to the location where the files have been downloaded. (It
2074is also possible to download them manually from <a
2075href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data/</a>.
2076In this case you will need to navigate to the download location manually.)<br>
2077For this tutorial you will see the data file in the file browser, because the
2078extensions on data files are the expected ones.</span></p>
2079
2080<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
2081auto;text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
2082style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2083style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
2084the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2085mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2086minor-latin'>PG3_20254-2_10K.xye </span></b><span style='font-family:"Calibri",sans-serif;
2087mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2088minor-latin'>data</span> file in the first dialog and press <b
2089style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2090mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2091minor-latin'>Open</span></b>. There will be a Dialog box asking <span
2092class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2093"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2094minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
2095style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2096mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2097minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
2098style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2099mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2100minor-latin'>Yes</span></b></span> button to proceed. <b style='mso-bidi-font-weight:
2101normal'>NB:</b> Don’t be tempted to read both data sets at once. The problem
2102with the <span class=SpellE>xye</span> format is that it has no provision for
2103identifying the instrument parameter file or the frame (“Bank”) number of the
2104data. If you did read both, then GSAS-II would use the <span class=SpellE>instprm</span>
2105file read in the next step and apply it inappropriately to both data sets. One
2106can recover from this error by selecting Instrument parameters and doing
2107Operations/Load parameters with the correct file.</p>
2108
2109<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
2110text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
2111style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2112style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
2113this data file does not define an instrument parameter file, a file dialog will
2114appear for you to select the correct instrument parameter file. Select <b
2115style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2116mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2117minor-latin'>Bank 2.instprm</span></b>; you may have to change the file type in
2118the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
2119style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2120mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II <span
2121class=SpellE>instprm</span> file</span></b> to see it. At this point the <b
2122style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2123mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2124minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
2125
2126<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2127 id="Picture_x0020_7" o:spid="_x0000_i1072" type="#_x0000_t75" style='width:343.5pt;
2128 height:217.5pt;visibility:visible;mso-wrap-style:square'>
2129 <v:imagedata src="Magnetic-V_files/image013.png" o:title=""/>
2130</v:shape><![endif]--><![if !vml]><img border=0 width=458 height=290
2131src="Magnetic-V_files/image044.gif" v:shapes="Picture_x0020_7"><![endif]></span></p>
2132
2133<p class=MsoNormal style='margin-left:.25in'><span class=GramE>and</span> the
2134plot window will show the powder pattern</p>
2135
2136<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2137 id="Picture_x0020_12" o:spid="_x0000_i1071" type="#_x0000_t75" style='width:344.25pt;
2138 height:305.25pt;visibility:visible;mso-wrap-style:square'>
2139 <v:imagedata src="Magnetic-V_files/image015.png" o:title=""/>
2140</v:shape><![endif]--><![if !vml]><img border=0 width=459 height=407
2141src="Magnetic-V_files/image045.gif" v:shapes="Picture_x0020_12"><![endif]></span></p>
2142
2143<p class=MsoNormal style='margin-left:.25in'><span class=GramE>which</span>
2144covers the d-spacing range 0.4-4.545 Å. This is the high resolution frame for
2145POWGEN and is collected by a selected setting of the beam choppers. Go to <b
2146style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2147mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2148minor-latin'>Limits</span></b></p>
2149
2150<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2151 id="Picture_x0020_9" o:spid="_x0000_i1070" type="#_x0000_t75" style='width:340.5pt;
2152 height:189pt;visibility:visible;mso-wrap-style:square'>
2153 <v:imagedata src="Magnetic-V_files/image007.png" o:title=""/>
2154</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=252
2155src="Magnetic-V_files/image046.gif" v:shapes="Picture_x0020_9"><![endif]></span></p>
2156
2157<p class=MsoNormal style='margin-left:.25in'>We want to remove the partial peak
2158at high TOF and limit the low TOF to something reasonable. I used <b
2159style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2160mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2161minor-latin'>12500</span></b> and <b style='mso-bidi-font-weight:normal'><span
2162style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2163mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>100000</span></b>;
2164the lower one corresponds to d<sub>min</sub>~0.55 Å and the upper one is just
2165excludes the last visible peak. Now we have to read the other frame.</p>
2166
2167<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
2168text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
2169style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2170style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Do
2171<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2172mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2173minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
2174Fit2D chi file</span></b> and select the <b style='mso-bidi-font-weight:normal'><span
2175style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2176mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PG3_20255-4_10K.xye
2177</span></b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2178minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>data</span>
2179file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
2180style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2181mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
2182There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
2183normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2184minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
2185style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2186mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2187minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
2188style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2189mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2190minor-latin'>Yes</span></b></span> button to proceed.</p>
2191
2192<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
2193text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
2194style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2195style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
2196this data file does not define an instrument parameter file, a file dialog will
2197appear for you to select the correct instrument parameter file. Select <b
2198style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2199mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2200minor-latin'>Bank 4.instprm</span></b>; you may have to change the file type in
2201the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
2202style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2203mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II <span
2204class=SpellE>instprm</span> file</span></b> to see it. At this point the <b
2205style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2206mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2207minor-latin'>GSAS-II data tree</span></b> window will have more entries </p>
2208
2209<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2210 id="Picture_x0020_13" o:spid="_x0000_i1069" type="#_x0000_t75" style='width:342pt;
2211 height:5in;visibility:visible;mso-wrap-style:square'>
2212 <v:imagedata src="Magnetic-V_files/image018.png" o:title=""/>
2213</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=480
2214src="Magnetic-V_files/image047.gif" v:shapes="Picture_x0020_13"><![endif]></span></p>
2215
2216<p class=MsoNormal style='margin-left:.25in'>And the plot will show this larger
2217d-spacing (1.15-9.0 Å) frame collected with a different set of chopper
2218settings. Notice that there is now a peak (d=4.94 Å) which was beyond the range
2219of the other frame. Go to Limits for this data set and set the upper limit to
2220125000; leave the lower limit as it is.</p>
2221
2222<h3>Step 2. Read in the chemical structure for Mn<sub>3</sub>O<sub>4</sub> at
222360K</h3>
2224
2225<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
2226text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
2227style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2228style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
2229the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2230mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2231minor-latin'>Import/Phase/from GSAS-II <span class=SpellE>gpx</span> file</span></b>
2232menu item to read the phase information for Mn<sub>3</sub>O<sub>4</sub> into
2233the current GSAS-II project. The file you want is the one from the 1<sup>st</sup>
2234part of this tutorial and should be in your current directory. This read option
2235is set to read from other GSAS-II project files. Other submenu items can read
2236phase information in other formats.<span style='mso-spacerun:yes'>  </span></p>
2237
2238<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
2239text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
2240style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2241style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
2242the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2243mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2244minor-latin'>Mn3O4 60K.gpx</span></b><span style='font-family:"Calibri",sans-serif;
2245mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2246minor-latin'> data</span> file in the first dialog and press <b
2247style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2248mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2249minor-latin'>Open</span></b>. There will be a Dialog box asking <span
2250class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2251"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2252minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
2253style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2254mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2255minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
2256style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2257mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2258minor-latin'>Yes</span></b></span> button to proceed. You will get the
2259opportunity to change the phase name next; press <b style='mso-bidi-font-weight:
2260normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2261minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
2262to continue.</p>
2263
2264<p class=MsoNormal style='margin-left:.25in'>Next is the histogram selection
2265window; this connects the phase to the data so it can be used in subsequent calculations.<span
2266style='mso-no-proof:yes'> </span>Select the histograms (or press <b
2267style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2268mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2269minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
2270style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2271mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
2272The General tab for the phase is shown next<br>
2273<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11"
2274 o:spid="_x0000_i1068" type="#_x0000_t75" style='width:342.75pt;height:183pt;
2275 visibility:visible;mso-wrap-style:square'>
2276 <v:imagedata src="Magnetic-V_files/image020.png" o:title=""/>
2277</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=244
2278src="Magnetic-V_files/image048.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
2279
2280<h3>Step 3. Check powder pattern indexing</h3>
2281
2282<p class=MsoNormal>Here the objective is to determine how the reflection
2283positions generated from the chemical (“nuclear”) crystal structure lattice
2284match up with the peaks observed for this magnetic phase. </p>
2285
2286<p class=MsoListParagraph style='margin-left:.25in;mso-add-space:auto;
2287text-indent:-.25in;mso-list:l1 level1 lfo10'><![if !supportLists]><span
2288style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2289style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
2290<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2291mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2292minor-latin'>Unit Cells List</span></b> from the tree entries under the 2<sup>nd</sup>
2293histogram (<b style='mso-bidi-font-weight:normal'><span style='font-family:
2294"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2295minor-latin;mso-bidi-theme-font:minor-latin'>PWDR PG3_20255-4_10k.xye</span></b>
2296&amp; has the largest d-spacing peaks); the Indexing controls will be shown<br>
2297<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15"
2298 o:spid="_x0000_i1067" type="#_x0000_t75" style='width:340.5pt;height:116.25pt;
2299 visibility:visible;mso-wrap-style:square'>
2300 <v:imagedata src="Magnetic-V_files/image022.png" o:title=""/>
2301</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=155
2302src="Magnetic-V_files/image049.gif" v:shapes="Picture_x0020_15"><![endif]></span><span
2303style='mso-spacerun:yes'> </span><br>
2304This can be use lattice parameters &amp; space groups to generate expected
2305reflection positions to check against the peaks in the powder pattern. </p>
2306
2307<p class=MsoNormal style='margin-left:.25in'>One could then enter <span
2308class=SpellE>Bravais</span> lattice, choose space group &amp; enter lattice
2309parameters by hand, but the easy way is to use the chemical lattice directly.
2310Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2311mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2312minor-latin'>Cell Index/Refine/Load Cell</span></b> from the menu; a Phase
2313selection box will appear with only one choice (<b style='mso-bidi-font-weight:
2314normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2315minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4</span></b>).
2316This was taken from the Phases present in this project; there could be more
2317than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
2318normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2319minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
2320menu item allows you to get lattice information from any one of the other phase
2321containing files known to GSAS-II.<br>
2322Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2323mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2324minor-latin'>OK</span></b> and the Indexing controls will be change<br>
2325<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1066"
2326 type="#_x0000_t75" style='width:339.75pt;height:115.5pt;visibility:visible;
2327 mso-wrap-style:square'>
2328 <v:imagedata src="Magnetic-V_files/image024.png" o:title=""/>
2329</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=154
2330src="Magnetic-V_files/image050.gif" v:shapes="_x0000_i1066"><![endif]></span><br>
2331showing the lattice constants for Mn<sub>3</sub>O<sub>4</sub> you had obtained
2332from the <span class=SpellE>gpx</span> file and the powder pattern will change
2333showing the lines for I 41/<span class=SpellE>amd</span> and the Mn<sub>3</sub>O<sub>4</sub>
2334lattice parameters. Change the space group to <b style='mso-bidi-font-weight:
2335normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2336minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>I
23374/m <span class=SpellE>m</span> <span class=SpellE>m</span></span></b>; the
2338plot will change showing the new lines.<br>
2339<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_17"
2340 o:spid="_x0000_i1065" type="#_x0000_t75" style='width:341.25pt;height:303pt;
2341 visibility:visible;mso-wrap-style:square'>
2342 <v:imagedata src="Magnetic-V_files/image026.png" o:title=""/>
2343</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=404
2344src="Magnetic-V_files/image051.gif" v:shapes="Picture_x0020_17"><![endif]></span><br>
2345Notice that some lines are not indexed; perhaps we need to double one of the
2346axes to generate reflections for these. Add “<b style='mso-bidi-font-weight:
2347normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2348minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>*2</span></b>”
2349at the end of the a-axis; this will index some lines but remove it from others.
2350Try doing the same for the c-axis; doesn’t appear to help either. Bring both
2351back to the original values (add “<b style='mso-bidi-font-weight:normal'><span
2352style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2353mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>/2</span></b>”
2354as needed to each, or else just do <b style='mso-bidi-font-weight:normal'><span
2355style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2356mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Load unit
2357cell</span></b> again). Recall that the chemical unit cell is I-centered; maybe
2358the centering is lost in forming the magnetic space group. Set the <span
2359class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2360"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2361minor-latin;mso-bidi-theme-font:minor-latin'>Bravais</span></b></span><b
2362style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2363mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2364minor-latin'> lattice</span></b> to <b style='mso-bidi-font-weight:normal'><span
2365style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2366mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P4/mmm</span></b>
2367and the space group to match. Then try doubling the a-axis; that indexes every
2368line. So we need two parts to the propagation vector; one to double a (or b)
2369and one to remove the centering. This makes sense considering the report that
2370there are two low temperature phase transitions for this material. They would
2371be (1/2<span class=GramE>,0,0</span>) or (0,1/2,0) and (0,0,1). I’m going to
2372pick (0<span class=GramE>,1</span>/2,0) for the 1<sup>st</sup> one as that will
2373match what was originally used.</p>
2374
2375<h2>Step 4. Run k-SUBGROUPSMAG</h2>
2376
2377<p class=MsoNormal>In this next step, you will be accessing the Bilbao
2378crystallographic server so you must be connected to the internet. In the Cell
2379Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
2380style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2381mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
2382k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
2383
2384<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2385 id="Picture_x0020_14" o:spid="_x0000_i1064" type="#_x0000_t75" style='width:166.5pt;
2386 height:278.25pt;visibility:visible;mso-wrap-style:square'>
2387 <v:imagedata src="Magnetic-V_files/image028.png" o:title=""/>
2388</v:shape><![endif]--><![if !vml]><img border=0 width=222 height=371
2389src="Magnetic-V_files/image052.gif" v:shapes="Picture_x0020_14"><![endif]></span></p>
2390
2391<p class=MsoNormal>To set the propagation vectors, set <b style='mso-bidi-font-weight:
2392normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2393minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>ky1=1/2</span></b>
2394and <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2395style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2396mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kx2 ,</span></b></span><b
2397style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2398mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2399minor-latin'> ky2 &amp; kz2</span></b> to <b style='mso-bidi-font-weight:normal'><span
2400style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2401mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0, 0, 1</span></b>
2402(NB: don’t leave any blank – not the same as zero; k-SUBGROUPSMAG will fail if
2403you do). Select <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2404style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2405mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>
2406for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2407mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2408minor-latin'>mag atoms test</span></b> and check the last box so we see
2409solutions with all magnetic <span class=SpellE>Mn</span> atoms marked as
2410“Keep”. Press <b style='mso-bidi-font-weight:normal'><span style='font-family:
2411"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2412minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>; a popup dialog will
2413appear reminding you how to cite the Bilbao routine in any paper you write
2414using this facility.</p>
2415
2416<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2417 id="Picture_x0020_16" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:357.75pt;
2418 height:123.75pt;visibility:visible;mso-wrap-style:square'>
2419 <v:imagedata src="Magnetic-V_files/image030.png" o:title=""/>
2420</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
2421src="Magnetic-V_files/image053.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
2422
2423<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
2424style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2425mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
2426the nag note will also appear on the console and after a pause, the console
2427will show “request OK” indicating that the Bilbao site has responded with some
2428results. GSAS-II will next display a File Dialog asking for a project name to
2429save this project; change the directory to a useful place for your work on this
2430tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
2431normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2432minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4
243310K.<o:p></o:p></span></b></p>
2434
2435<p class=MsoNormal>The GSAS-II data window will display the 184(!) results from
2436k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
2437this file is located in the same location as the powder data and <span
2438class=SpellE>cif</span> files used above were found. Do <b style='mso-bidi-font-weight:
2439normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2440minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Open
2441Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
2442normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2443minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4
244410K.gpx</span></b>”, then do <b style='mso-bidi-font-weight:normal'><span
2445style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2446mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save as</span></b>
2447to save it immediately in your working directory.). The Unit Cells List window
2448will show the results<br>
2449<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_20"
2450 o:spid="_x0000_i1062" type="#_x0000_t75" style='width:359.25pt;height:241.5pt;
2451 visibility:visible;mso-wrap-style:square'>
2452 <v:imagedata src="Magnetic-V_files/image054.png" o:title=""/>
2453</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=322
2454src="Magnetic-V_files/image055.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
2455
2456<p class=MsoNormal>There are a lot of possible solutions; the lowest number of
2457unique positions is 4. Let’s change the filters to <span class=GramE>Keep</span>
2458only those. Double click the Keep column heading; a popup will appear</p>
2459
2460<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2461 id="Picture_x0020_21" o:spid="_x0000_i1061" type="#_x0000_t75" style='width:168pt;
2462 height:110.25pt;visibility:visible;mso-wrap-style:square'>
2463 <v:imagedata src="Magnetic-V_files/image056.png" o:title=""/>
2464</v:shape><![endif]--><![if !vml]><img border=0 width=224 height=147
2465src="Magnetic-V_files/image057.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
2466
2467<p class=MsoNormal>Set <b style='mso-bidi-font-weight:normal'><span
2468style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2469mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>max unique</span></b>
2470to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2471mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2472minor-latin'>4</span></b>, the <b style='mso-bidi-font-weight:normal'><span
2473style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2474mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>test for mag
2475atoms</span></b> to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2476style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2477mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn</span></b></span>,
2478and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2479mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2480minor-latin'>OK</span></b>. That cleared away a lot of solutions</p>
2481
2482<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2483 id="Picture_x0020_22" o:spid="_x0000_i1060" type="#_x0000_t75" style='width:357.75pt;
2484 height:240pt;visibility:visible;mso-wrap-style:square'>
2485 <v:imagedata src="Magnetic-V_files/image058.png" o:title=""/>
2486</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=320
2487src="Magnetic-V_files/image059.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
2488
2489<p class=MsoNormal>In fact there are only 4 left from the initial 184 possible
2490space groups; we’ll have to look at each in turn. If you do <span class=GramE><b
2491style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2492mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2493minor-latin'>Try</span></b></span> on each, unfortunately there are no
2494reflections within our TOF frames that systematically change so we can
2495discriminate between them. If you then click on the number in the <span
2496class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2497"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2498minor-latin;mso-bidi-theme-font:minor-latin'>Uniq</span></b></span> column (<b
2499style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2500mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2501minor-latin'>4</span></b> in each case), GSAS-II will show the unique magnetic
2502atom positions and their magnetic moment components. For #2 (<span
2503class=SpellE>Pbn’a</span>’) we see</p>
2504
2505<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2506 id="Picture_x0020_23" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:265.5pt;
2507 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2508 <v:imagedata src="Magnetic-V_files/image060.png" o:title=""/>
2509</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
2510src="Magnetic-V_files/image061.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
2511
2512<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
2513style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2514mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
2515&amp; try the next one (#3 <span class=SpellE>Pb’n’a</span>)</p>
2516
2517<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2518 id="Picture_x0020_24" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:269.25pt;
2519 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2520 <v:imagedata src="Magnetic-V_files/image062.png" o:title=""/>
2521</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
2522src="Magnetic-V_files/image063.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
2523
2524<p class=MsoNormal>Again press <b style='mso-bidi-font-weight:normal'><span
2525style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2526mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
2527&amp; try the next (#4 <span class=SpellE>Pb’na</span>’)</p>
2528
2529<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2530 id="Picture_x0020_25" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:269.25pt;
2531 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2532 <v:imagedata src="Magnetic-V_files/image062.png" o:title=""/>
2533</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
2534src="Magnetic-V_files/image063.gif" v:shapes="Picture_x0020_25"><![endif]></span></p>
2535
2536<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
2537style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2538mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
2539and finally the last one (#8 <span class=SpellE>Pbna</span>)</p>
2540
2541<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2542 id="Picture_x0020_26" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:265.5pt;
2543 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2544 <v:imagedata src="Magnetic-V_files/image064.png" o:title=""/>
2545</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
2546src="Magnetic-V_files/image065.gif" v:shapes="Picture_x0020_26"><![endif]></span>.</p>
2547
2548<p class=MsoNormal>These seem to be in pairs two (#2 &amp; #8) with no <span
2549class=SpellE>My</span>, <span class=SpellE>Mz</span> component on one atom and the
2550other two (#3 &amp; #4) with no <span class=SpellE>Mx</span> component on one
2551atom; the other atoms are in general positions and have all three components
2552allowed. One other point for consideration is that the <span class=SpellE>Mn</span>
2553oxidation states are in the + 2 to +4 range so the high spin magnetic moments could
2554be large (4-5<span style='font-family:Symbol'>m</span><sub>B</sub>). We will
2555still have to try each in turn. Before we start we should go to the <b
2556style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2557mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2558minor-latin'>Mn3O4</span></b> phase, clear the <b style='mso-bidi-font-weight:
2559normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2560minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Unit
2561cell refine</span></b> flag and then select <b style='mso-bidi-font-weight:
2562normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2563minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2564and clear the refine flags there; this will avoid problems for our first
2565refinements. <b style='mso-bidi-font-weight:normal'><span style='font-family:
2566"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2567minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b> the project.</p>
2568
2569<h2>Step 5. Trial magnetic structures for Mn<sub>3</sub>O<sub>4<o:p></o:p></sub></h2>
2570
2571<h3><span class=SpellE>Intoduction</span></h3>
2572
2573<p class=MsoNormal>In this section we will be doing the same thing using each
2574of the 4 possible magnetic solutions with the minimum number (4) of magnetic
2575atoms. For each one we have opened the initial one phase project containing the
2576k-SUBGROUPSMAG table of possible magnetic space groups. We then select one,
2577assign values to the magnetic components and then do sufficient refinements to
2578be able to compare them.</p>
2579
2580<h3 style='margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo12'><![if !supportLists]><span
2581style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2582style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Try
2583<span class=SpellE>Pbn’a</span>’ (#2)</h3>
2584
2585<p class=MsoNormal>To begin, be sure <b style='mso-bidi-font-weight:normal'><span
2586style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2587mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 10K.gpx</span></b>
2588is opened in your GSAS-II. Select the <b style='mso-bidi-font-weight:normal'><span
2589style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2590mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4</span></b>
2591phase and do <b style='mso-bidi-font-weight:normal'><span style='font-family:
2592"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2593minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select magnetic phase</span></b>;
2594a popup selection will appear</p>
2595
2596<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2597 id="Picture_x0020_40" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:187.5pt;
2598 height:155.25pt;visibility:visible;mso-wrap-style:square'>
2599 <v:imagedata src="Magnetic-V_files/image066.png" o:title=""/>
2600</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
2601src="Magnetic-V_files/image067.gif" v:shapes="Picture_x0020_40"><![endif]></span></p>
2602
2603<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
2604style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2605mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1<sup>st</sup></span></b>
2606one and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
2607"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2608minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>; a new popup will
2609appear</p>
2610
2611<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2612 id="Picture_x0020_27" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:265.5pt;
2613 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2614 <v:imagedata src="Magnetic-V_files/image068.png" o:title=""/>
2615</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
2616src="Magnetic-V_files/image069.gif" v:shapes="Picture_x0020_27"><![endif]></span></p>
2617
2618<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2619style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2620mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>;
2621a new project will be created <b style='mso-bidi-font-weight:normal'><span
2622style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2623mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4
2624mag_2.gpx</span></b> and you will be at the General tab for the new magnetic
2625phase</p>
2626
2627<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2628 id="Picture_x0020_28" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:359.25pt;
2629 height:201pt;visibility:visible;mso-wrap-style:square'>
2630 <v:imagedata src="Magnetic-V_files/image070.png" o:title=""/>
2631</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=268
2632src="Magnetic-V_files/image071.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
2633
2634<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
2635style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2636mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2637and enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2638mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2639minor-latin'>2.0</span></b> for every <span class=SpellE><b style='mso-bidi-font-weight:
2640normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2641minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2642style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2643mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2644minor-latin'> My <span class=SpellE>Mz</span></span></b> allowed for all 4
2645atoms; it should look like</p>
2646
2647<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2648 id="Picture_x0020_29" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:5in;
2649 height:111pt;visibility:visible;mso-wrap-style:square'>
2650 <v:imagedata src="Magnetic-V_files/image072.png" o:title=""/>
2651</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=148
2652src="Magnetic-V_files/image073.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
2653
2654<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2655style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2656mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2657for Scale &amp; Background for 2 data sets (<span class=SpellE>wR</span> =
265827.6%). Set refine for all <span class=SpellE>Mn</span> atoms to <b
2659style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2660mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2661minor-latin'>M</span></b> and do <b style='mso-bidi-font-weight:normal'><span
2662style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2663mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
26642-3 times to convergence (<span class=SpellE>wR</span>=20.6%).</p>
2665
2666<p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span
2667style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2668mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
2669tab for each phase and check the <b style='mso-bidi-font-weight:normal'><span
2670style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2671mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
2672cell</span></b> box for each. Then select <b style='mso-bidi-font-weight:normal'><span
2673style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2674mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
2675(there will be a popup about a conflict; press <b style='mso-bidi-font-weight:
2676normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2677minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>)</p>
2678
2679<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2680 id="Picture_x0020_30" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:360.75pt;
2681 height:351.75pt;visibility:visible;mso-wrap-style:square'>
2682 <v:imagedata src="Magnetic-V_files/image074.png" o:title=""/>
2683</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=469
2684src="Magnetic-V_files/image075.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
2685
2686<p class=MsoNormal>The problem here is similar to what we saw in the Magnetic
2687Structures-III tutorial. Here we want this constraint to be on the orthorhombic
2688lattice parameters; e.g. that b = 2*a (or A0= 4*A1). <b style='mso-bidi-font-weight:
2689normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2690minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Delete</span></b>
2691the one marked in yellow. Then do <span class=GramE><b style='mso-bidi-font-weight:
2692normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2693minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b></span><b
2694style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2695mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2696minor-latin'> <span class=SpellE>constr</span>/Add equivalence</span></b>; a
2697popup will appear</p>
2698
2699<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2700 id="Picture_x0020_31" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:358.5pt;
2701 height:229.5pt;visibility:visible;mso-wrap-style:square'>
2702 <v:imagedata src="Magnetic-V_files/image076.png" o:title=""/>
2703</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=306
2704src="Magnetic-V_files/image077.gif" v:shapes="Picture_x0020_31"><![endif]></span></p>
2705
2706<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
2707style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2708mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::A0</span></b>
2709line and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
2710"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2711minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b> a new popup will
2712appear. Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
2713"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2714minor-latin;mso-bidi-theme-font:minor-latin'>1::A1</span></b><br>
2715<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_33"
2716 o:spid="_x0000_i1049" type="#_x0000_t75" style='width:356.25pt;height:208.5pt;
2717 visibility:visible;mso-wrap-style:square'>
2718 <v:imagedata src="Magnetic-V_files/image078.png" o:title=""/>
2719</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=278
2720src="Magnetic-V_files/image079.gif" v:shapes="Picture_x0020_33"><![endif]></span></p>
2721
2722<p class=MsoNormal><span class=GramE>and</span> press <b style='mso-bidi-font-weight:
2723normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2724minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
2725A new line will be added to the list of constraints; press <b style='mso-bidi-font-weight:
2726normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2727minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit</span></b>
2728for it and a popup will appear</p>
2729
2730<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2731 id="Picture_x0020_34" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:358.5pt;
2732 height:116.25pt;visibility:visible;mso-wrap-style:square'>
2733 <v:imagedata src="Magnetic-V_files/image080.png" o:title=""/>
2734</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=155
2735src="Magnetic-V_files/image081.gif" v:shapes="Picture_x0020_34"><![endif]></span></p>
2736
2737<p class=MsoNormal>Since A0 is the reciprocal metric tensor element = a*2 and
2738A1 is that = b*2, we want A0 = A1/4. So enter <b style='mso-bidi-font-weight:
2739normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2740minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>4</span></b>
2741in the box for <b style='mso-bidi-font-weight:normal'><span style='font-family:
2742"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2743minor-latin;mso-bidi-theme-font:minor-latin'>1::A1</span></b> to give</p>
2744
2745<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2746 id="Picture_x0020_55" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:357pt;
2747 height:115.5pt;visibility:visible;mso-wrap-style:square'>
2748 <v:imagedata src="Magnetic-V_files/image082.png" o:title=""/>
2749</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=154
2750src="Magnetic-V_files/image083.gif" v:shapes="Picture_x0020_55"><![endif]></span></p>
2751
2752<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
2753style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2754mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
2755the constraints should read</p>
2756
2757<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2758 id="Picture_x0020_56" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:358.5pt;
2759 height:242.25pt;visibility:visible;mso-wrap-style:square'>
2760 <v:imagedata src="Magnetic-V_files/image084.png" o:title=""/>
2761</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=323
2762src="Magnetic-V_files/image085.gif" v:shapes="Picture_x0020_56"><![endif]></span></p>
2763
2764<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
2765style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2766mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2767until convergence (my <span class=SpellE>wR</span>=16.4% after several
2768refinements).</p>
2769
2770<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
2771style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2772mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
2773the project; we may look at it later for more refinement.</p>
2774
2775<p class=MsoListParagraph style='mso-margin-top-alt:auto;mso-margin-bottom-alt:
2776auto;text-indent:-.25in;mso-outline-level:3;mso-list:l9 level1 lfo13;
2777display:none'><![if !supportLists]><b><span style='font-size:13.5pt;mso-fareast-font-family:
2778"Times New Roman";display:none;mso-hide:all'><span style='mso-list:Ignore'>1.<span
2779style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span></b><![endif]><b><span
2780style='font-size:13.5pt;display:none;mso-hide:all'><o:p>&nbsp;</o:p></span></b></p>
2781
2782<h3 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo13'><![if !supportLists]><span
2783style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2784style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Try
2785<span class=SpellE>Pb’n’a</span> (#3)</h3>
2786
2787<p class=MsoNormal>To begin, be sure <b style='mso-bidi-font-weight:normal'><span
2788style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2789mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 10K.gpx</span></b>
2790is opened in your GSAS-II; we are going to repeat the above steps. Select the <b
2791style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2792mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2793minor-latin'>Mn3O4</span></b> phase and do <b style='mso-bidi-font-weight:normal'><span
2794style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2795mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2796magnetic phase</span></b>; a popup selection will appear</p>
2797
2798<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2799 id="Picture_x0020_41" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:187.5pt;
2800 height:155.25pt;visibility:visible;mso-wrap-style:square'>
2801 <v:imagedata src="Magnetic-V_files/image066.png" o:title=""/>
2802</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
2803src="Magnetic-V_files/image086.gif" v:shapes="Picture_x0020_41"><![endif]></span><o:p></o:p></p>
2804
2805<p class=MsoNormal>We’ve done the 1<sup>st</sup> one; now pick the <b
2806style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2807mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2808minor-latin'>2<sup>nd</sup></span></b> and press <b style='mso-bidi-font-weight:
2809normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2810minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
2811A new popup will appear<o:p></o:p></p>
2812
2813<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2814 id="Picture_x0020_42" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:269.25pt;
2815 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2816 <v:imagedata src="Magnetic-V_files/image087.png" o:title=""/>
2817</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
2818src="Magnetic-V_files/image088.gif" v:shapes="Picture_x0020_42"><![endif]></span><o:p></o:p></p>
2819
2820<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2821style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2822mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>;
2823a new project will be created <b style='mso-bidi-font-weight:normal'><span
2824style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2825mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 mag_3.gpx</span></b>
2826and you will be at the General tab for the new magnetic phase<o:p></o:p></p>
2827
2828<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2829 id="Picture_x0020_43" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:366.75pt;
2830 height:207pt;visibility:visible;mso-wrap-style:square'>
2831 <v:imagedata src="Magnetic-V_files/image089.png" o:title=""/>
2832</v:shape><![endif]--><![if !vml]><img border=0 width=489 height=276
2833src="Magnetic-V_files/image090.gif" v:shapes="Picture_x0020_43"><![endif]></span><o:p></o:p></p>
2834
2835<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
2836style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2837mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2838and enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2839mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2840minor-latin'>2</span></b> for every <span class=SpellE><b style='mso-bidi-font-weight:
2841normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2842minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2843style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2844mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2845minor-latin'> My <span class=SpellE>Mz</span></span></b> allowed for all 4
2846atoms; it should look like<o:p></o:p></p>
2847
2848<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2849 id="Picture_x0020_44" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:365.25pt;
2850 height:91.5pt;visibility:visible;mso-wrap-style:square'>
2851 <v:imagedata src="Magnetic-V_files/image091.png" o:title=""/>
2852</v:shape><![endif]--><![if !vml]><img border=0 width=487 height=122
2853src="Magnetic-V_files/image092.gif" v:shapes="Picture_x0020_44"><![endif]></span><o:p></o:p></p>
2854
2855<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2856style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2857mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2858for Scale &amp; Background for 2 data sets (<span class=SpellE>wR</span> = 25.1%).
2859Set refine for all <span class=SpellE>Mn</span> atoms to <b style='mso-bidi-font-weight:
2860normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2861minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
2862and do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2863mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2864minor-latin'>Calculate/Refine</span></b> 2-3 times to convergence (<span
2865class=SpellE>wR</span>=20.9%).<o:p></o:p></p>
2866
2867<p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span
2868style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2869mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
2870tab for each phase and check the <b style='mso-bidi-font-weight:normal'><span
2871style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2872mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
2873cell</span></b> box for each. Then select <b style='mso-bidi-font-weight:normal'><span
2874style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2875mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
2876(there will be a popup about a conflict; press <b style='mso-bidi-font-weight:
2877normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2878minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>).</p>
2879
2880<p class=MsoNormal>Fix the constraints as above: 1) delete the one in error, 2)
2881add an equivalence for <b style='mso-bidi-font-weight:normal'><span
2882style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2883mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::A0</span></b>
2884= <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2885mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2886minor-latin'>1::A1</span></b> and 3) edit the constraint so <b
2887style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2888mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2889minor-latin'>1::A1 = 0.250*1::A0</span></b> to give</p>
2890
2891<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2892 id="Picture_x0020_57" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:5in;
2893 height:243pt;visibility:visible;mso-wrap-style:square'>
2894 <v:imagedata src="Magnetic-V_files/image093.png" o:title=""/>
2895</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=324
2896src="Magnetic-V_files/image094.gif" v:shapes="Picture_x0020_57"><![endif]></span><o:p></o:p></p>
2897
2898<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
2899style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2900mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2901until convergence (my <span class=SpellE>wR</span>=16.9% after several
2902refinements).<o:p></o:p></p>
2903
2904<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
2905style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2906mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
2907the project; we may look at it later for more refinement.<o:p></o:p></p>
2908
2909<h3 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo13'><![if !supportLists]><span
2910style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2911style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Try
2912<span class=SpellE>Pb’na</span>’ (#4)<o:p></o:p></h3>
2913
2914<p class=MsoNormal>To begin, be sure <b style='mso-bidi-font-weight:normal'><span
2915style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2916mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 10K.gpx</span></b>
2917is opened in your GSAS-II; we are going to repeat the above steps. Select the <b
2918style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2919mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2920minor-latin'>Mn3O4</span></b> phase and do <b style='mso-bidi-font-weight:normal'><span
2921style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2922mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2923magnetic phase</span></b>; a popup selection will appear<o:p></o:p></p>
2924
2925<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2926 id="Picture_x0020_46" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:187.5pt;
2927 height:155.25pt;visibility:visible;mso-wrap-style:square'>
2928 <v:imagedata src="Magnetic-V_files/image066.png" o:title=""/>
2929</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
2930src="Magnetic-V_files/image086.gif" v:shapes="Picture_x0020_46"><![endif]></span><o:p></o:p></p>
2931
2932<p class=MsoNormal>We’ve done the 1<sup>st</sup> two; now pick the <b
2933style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2934mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2935minor-latin'>3rd</span></b> and press <b style='mso-bidi-font-weight:normal'><span
2936style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2937mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
2938A new popup will appear<o:p></o:p></p>
2939
2940<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2941 id="Picture_x0020_51" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:269.25pt;
2942 height:139.5pt;visibility:visible;mso-wrap-style:square'>
2943 <v:imagedata src="Magnetic-V_files/image095.png" o:title=""/>
2944</v:shape><![endif]--><![if !vml]><img border=0 width=359 height=186
2945src="Magnetic-V_files/image096.gif" v:shapes="Picture_x0020_51"><![endif]></span><o:p></o:p></p>
2946
2947<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2948style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2949mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>;
2950a new project will be created <b style='mso-bidi-font-weight:normal'><span
2951style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2952mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 mag_4.gpx</span></b>
2953and you will be at the General tab for the new magnetic phase<o:p></o:p></p>
2954
2955<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2956 id="Picture_x0020_52" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:358.5pt;
2957 height:206.25pt;visibility:visible;mso-wrap-style:square'>
2958 <v:imagedata src="Magnetic-V_files/image097.png" o:title=""/>
2959</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=275
2960src="Magnetic-V_files/image098.gif" v:shapes="Picture_x0020_52"><![endif]></span><o:p></o:p></p>
2961
2962<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
2963style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2964mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2965and enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2966mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2967minor-latin'>2</span></b> for every <span class=SpellE><b style='mso-bidi-font-weight:
2968normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2969minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2970style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2971mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2972minor-latin'> My <span class=SpellE>Mz</span></span></b> allowed for all 4
2973atoms; it should look like<o:p></o:p></p>
2974
2975<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2976 id="Picture_x0020_53" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:355.5pt;
2977 height:94.5pt;visibility:visible;mso-wrap-style:square'>
2978 <v:imagedata src="Magnetic-V_files/image099.png" o:title=""/>
2979</v:shape><![endif]--><![if !vml]><img border=0 width=474 height=126
2980src="Magnetic-V_files/image100.gif" v:shapes="Picture_x0020_53"><![endif]></span><o:p></o:p></p>
2981
2982<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2983style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2984mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2985for Scale &amp; Background for 2 data sets (<span class=SpellE>wR</span> = 25.9%).
2986Set refine for all <span class=SpellE>Mn</span> atoms to <b style='mso-bidi-font-weight:
2987normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2988minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
2989and do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2990mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2991minor-latin'>Calculate/Refine</span></b> 2-3 times to convergence (<span
2992class=SpellE>wR</span>=19.9%).<o:p></o:p></p>
2993
2994<p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span
2995style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2996mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
2997tab for each phase and check the <b style='mso-bidi-font-weight:normal'><span
2998style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2999mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
3000cell</span></b> box for each. Then select <b style='mso-bidi-font-weight:normal'><span
3001style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3002mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
3003(there will be a popup about a conflict; press <b style='mso-bidi-font-weight:
3004normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3005minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>).<o:p></o:p></p>
3006
3007<p class=MsoNormal>Fix the constraints as above: 1) delete the one in error, 2)
3008add an equivalence for <span style='font-family:"Calibri",sans-serif;
3009mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3010minor-latin'>1::A0 = 1::A1</span> and 3) edit the constraint so <b
3011style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3012mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3013minor-latin'>1::A0 = 0.250*1::A1</span></b> to give<o:p></o:p></p>
3014
3015<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3016 id="Picture_x0020_58" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:354pt;
3017 height:239.25pt;visibility:visible;mso-wrap-style:square'>
3018 <v:imagedata src="Magnetic-V_files/image101.png" o:title=""/>
3019</v:shape><![endif]--><![if !vml]><img border=0 width=472 height=319
3020src="Magnetic-V_files/image102.gif" v:shapes="Picture_x0020_58"><![endif]></span><o:p></o:p></p>
3021
3022<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
3023style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3024mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3025until convergence (my <span class=SpellE>wR</span>=15.8% after several
3026refinements).<o:p></o:p></p>
3027
3028<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
3029style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3030mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
3031the project; we may look at it later for more refinement.<o:p></o:p></p>
3032
3033<h3 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo13'><![if !supportLists]><span
3034style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3035style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Try
3036<span class=SpellE>Pbna</span> (#8)<o:p></o:p></h3>
3037
3038<p class=MsoNormal>To begin, be sure <b style='mso-bidi-font-weight:normal'><span
3039style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3040mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 10K.gpx</span></b>
3041is opened in your GSAS-II; we are going to repeat the above steps. Select the <b
3042style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3043mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3044minor-latin'>Mn3O4</span></b> phase and do <b style='mso-bidi-font-weight:normal'><span
3045style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3046mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
3047magnetic phase</span></b>; a popup selection will appear<o:p></o:p></p>
3048
3049<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3050 id="Picture_x0020_59" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:187.5pt;
3051 height:155.25pt;visibility:visible;mso-wrap-style:square'>
3052 <v:imagedata src="Magnetic-V_files/image066.png" o:title=""/>
3053</v:shape><![endif]--><![if !vml]><img border=0 width=250 height=207
3054src="Magnetic-V_files/image086.gif" v:shapes="Picture_x0020_59"><![endif]></span><o:p></o:p></p>
3055
3056<p class=MsoNormal>We’ve done the 1<sup>st</sup> three; now pick the <b
3057style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3058mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3059minor-latin'>last</span></b> one (#8) and press <b style='mso-bidi-font-weight:
3060normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3061minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
3062A new popup will appear<o:p></o:p></p>
3063
3064<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3065 id="Picture_x0020_64" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:265.5pt;
3066 height:139.5pt;visibility:visible;mso-wrap-style:square'>
3067 <v:imagedata src="Magnetic-V_files/image103.png" o:title=""/>
3068</v:shape><![endif]--><![if !vml]><img border=0 width=354 height=186
3069src="Magnetic-V_files/image104.gif" v:shapes="Picture_x0020_64"><![endif]></span><o:p></o:p></p>
3070
3071<p class=MsoNormal>Press <span class=GramE><b style='mso-bidi-font-weight:normal'><span
3072style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3073mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span>;
3074a new project will be created <b style='mso-bidi-font-weight:normal'><span
3075style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3076mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mn3O4 mag_4.gpx</span></b>
3077and you will be at the General tab for the new magnetic phase<o:p></o:p></p>
3078
3079<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3080 id="Picture_x0020_65" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:359.25pt;
3081 height:203.25pt;visibility:visible;mso-wrap-style:square'>
3082 <v:imagedata src="Magnetic-V_files/image105.png" o:title=""/>
3083</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=271
3084src="Magnetic-V_files/image106.gif" v:shapes="Picture_x0020_65"><![endif]></span><o:p></o:p></p>
3085
3086<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
3087style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3088mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
3089and enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3090mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3091minor-latin'>2</span></b> for every <span class=SpellE><b style='mso-bidi-font-weight:
3092normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3093minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
3094style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3095mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3096minor-latin'> My <span class=SpellE>Mz</span></span></b> allowed for all 4
3097atoms; it should look like<o:p></o:p></p>
3098
3099<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3100 id="Picture_x0020_67" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:356.25pt;
3101 height:90pt;visibility:visible;mso-wrap-style:square'>
3102 <v:imagedata src="Magnetic-V_files/image107.png" o:title=""/>
3103</v:shape><![endif]--><![if !vml]><img border=0 width=475 height=120
3104src="Magnetic-V_files/image108.gif" v:shapes="Picture_x0020_67"><![endif]></span><o:p></o:p></p>
3105
3106<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
3107style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3108mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3109for Scale &amp; Background for 2 data sets (<span class=SpellE>wR</span> = 28.8%).
3110Set refine for all <span class=SpellE>Mn</span> atoms to <b style='mso-bidi-font-weight:
3111normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3112minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
3113and do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3114mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3115minor-latin'>Calculate/Refine</span></b> 2-3 times to convergence (<span
3116class=SpellE>wR</span>=22.7%).<o:p></o:p></p>
3117
3118<p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span
3119style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3120mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
3121tab for each phase and check the <b style='mso-bidi-font-weight:normal'><span
3122style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3123mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
3124cell</span></b> box for each. Then select <b style='mso-bidi-font-weight:normal'><span
3125style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3126mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
3127(there will be a popup about a conflict; press <b style='mso-bidi-font-weight:
3128normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3129minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>).<o:p></o:p></p>
3130
3131<p class=MsoNormal>Fix the constraints as above: 1) delete the one in error, 2)
3132add an equivalence for <b style='mso-bidi-font-weight:normal'><span
3133style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3134mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::A0 = 1::A1</span></b>
3135and 3) edit the constraint so <b style='mso-bidi-font-weight:normal'><span
3136style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3137mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::A0 = 0.250*1::A1</span></b>
3138to give<o:p></o:p></p>
3139
3140<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3141 id="Picture_x0020_66" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:357pt;
3142 height:233.25pt;visibility:visible;mso-wrap-style:square'>
3143 <v:imagedata src="Magnetic-V_files/image109.png" o:title=""/>
3144</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=311
3145src="Magnetic-V_files/image110.gif" v:shapes="Picture_x0020_66"><![endif]></span><o:p></o:p></p>
3146
3147<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
3148style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3149mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3150until convergence (my <span class=SpellE>wR</span>=19.4% after several
3151refinements).<o:p></o:p></p>
3152
3153<p class=MsoNormal>Save the project; we may look at it later for more
3154refinement.</p>
3155
3156<h3>Review results and complete refinement</h3>
3157
3158<p class=MsoNormal>Comparing the final <span class=SpellE>wR</span> values for
3159the 4 structures gives the following order: 1) <span class=SpellE>Pb’na</span>’
3160(#4) <span class=SpellE>wR</span>=15.8%, 2) <span class=SpellE>Pbn’a</span>’
3161(#2) <span class=SpellE>wR</span>= 16.4%, 3) <span class=SpellE>Pb’n’a</span>
3162(#3) <span class=SpellE>wR</span>=16.9% and 4) <span class=SpellE>Pbna</span>
3163(#8) <span class=SpellE>wR</span>=19.4%. Clearly, #8 is poorest and #4 is best
3164in terms of residuals. The pattern for the higher d-spacing frame shows the fit</p>
3165
3166<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3167 id="Picture_x0020_68" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:5in;
3168 height:319.5pt;visibility:visible;mso-wrap-style:square'>
3169 <v:imagedata src="Magnetic-V_files/image134.png" o:title=""/>
3170</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=426
3171src="Magnetic-V_files/image135.gif" v:shapes="Picture_x0020_68"><![endif]></span></p>
3172
3173<p class=MsoNormal>The principal problem seems to be peak positions; the
3174magnitudes seem ok which indicates that the magnetic structure is correct.</p>
3175
3176<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3177 id="Picture_x0020_69" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:5in;
3178 height:94.5pt;visibility:visible;mso-wrap-style:square'>
3179 <v:imagedata src="Magnetic-V_files/image136.png" o:title=""/>
3180</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=126
3181src="Magnetic-V_files/image137.gif" v:shapes="Picture_x0020_69"><![endif]></span><o:p></o:p></p>
3182
3183<p class=MsoNormal>Looking at the magnetic moment components, it appears that <span
3184class=SpellE>Mx</span> could be zero for all atoms. Let’s try this; set all <span
3185class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
3186"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3187minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
3188style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3189mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3190minor-latin'> = 0</span></b>. Now we have to add holds on these in Constraints
3191to keep them at zero (and avoid possible least-squares singularities). Go to <b
3192style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3193mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3194minor-latin'>Constraints</span></b> and do <b style='mso-bidi-font-weight:normal'><span
3195style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3196mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit Constr<span
3197class=GramE>./</span>Add hold</span></b>; a popup will appear</p>
3198
3199<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3200 id="Picture_x0020_70" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:7in;
3201 height:252.75pt;visibility:visible;mso-wrap-style:square'>
3202 <v:imagedata src="Magnetic-V_files/image138.png" o:title=""/>
3203</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=337
3204src="Magnetic-V_files/image139.gif" v:shapes="Picture_x0020_70"><![endif]></span></p>
3205
3206<p class=MsoNormal>Use <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
3207style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3208mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span>
3209for the filter and select all that shows (it doesn’t matter that one is fixed
3210by symmetry). The Constraints list will show the holds at the bottom</p>
3211
3212<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3213 id="Picture_x0020_71" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:444pt;
3214 height:438pt;visibility:visible;mso-wrap-style:square'>
3215 <v:imagedata src="Magnetic-V_files/image140.png" o:title=""/>
3216</v:shape><![endif]--><![if !vml]><img border=0 width=592 height=584
3217src="Magnetic-V_files/image141.gif" v:shapes="Picture_x0020_71"><![endif]></span></p>
3218
3219<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
3220style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3221mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3222until convergence (<span class=SpellE>wR</span>=15.8%); it is essentially
3223unchanged showing that <span class=SpellE>Mx</span>=0 is a valid assumption. In
3224addition it appears that <span class=SpellE>Mz</span>=0 for the 1<sup>st</sup> <span
3225class=SpellE>Mn</span> atom. Set <span class=SpellE><b style='mso-bidi-font-weight:
3226normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3227minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mz</span></b></span><b
3228style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3229mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3230minor-latin'>=0</span></b> for it and add the appropriate hold for it to the
3231constraints list. Finally we can refine the remaining atom parameters; set <b
3232style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3233mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3234minor-latin'>U</span></b> for all atoms and <b style='mso-bidi-font-weight:
3235normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3236minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
3237for the O-atom in the chemical cell, and <b style='mso-bidi-font-weight:normal'><span
3238style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3239mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>UM</span></b>
3240for all <span class=SpellE>Mn</span> atoms in the magnetic cell. Whatever
3241constraints are needed to tie these together have already been entered in the
3242Constraints list. Do <b style='mso-bidi-font-weight:normal'><span
3243style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3244mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3245until convergence (<span class=SpellE>wR</span>=15.9%); the residual is
3246essentially unchanged. These parameters were already well determined from the
324760K data. We still see peak position errors especially for the magnetic peaks
3248at high d-spacing. This probably arises from a bit of magnetically induced
3249strain on the lattice. We can explore this by refining the <span class=SpellE>Dij</span>
3250coefficients for the magnetic phase. Go to the <b style='mso-bidi-font-weight:
3251normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3252minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b>
3253tab for the magnetic phase</p>
3254
3255<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3256 id="Picture_x0020_72" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:445.5pt;
3257 height:335.25pt;visibility:visible;mso-wrap-style:square'>
3258 <v:imagedata src="Magnetic-V_files/image142.png" o:title=""/>
3259</v:shape><![endif]--><![if !vml]><img border=0 width=594 height=447
3260src="Magnetic-V_files/image143.gif" v:shapes="Picture_x0020_72"><![endif]></span><br>
3261<span class=GramE>and</span> set the refine boxes for <b style='mso-bidi-font-weight:
3262normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3263minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>D11
3264D22</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
3265style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3266mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>D33</span></b>
3267for both histograms. (<span class=GramE>do</span> not be tempted to do the same
3268for the chemical phase – that will result in a singular matrix error because of
3269the coupling with the lattice parameters). Do <b style='mso-bidi-font-weight:
3270normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3271minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
3272until convergence; my <span class=SpellE>wR</span>=15.2% is significantly
3273better showing that magnetic strain is a possibility. Since D11 &amp; D33 are
3274&lt; than D22, they could be reset to zero &amp; not refined. In that case <span
3275class=SpellE>wR</span>=15.2% again indicating that all the magnetic strain is
3276along the b-axis (the one that was doubled). This analysis is not strictly
3277correct because it does not allow the chemical cell to show the magnetic
3278strain. To do this one has to describe the chemical structure in the doubled
3279magnetic cell with the space group <span class=SpellE>Pbna</span> (probably
3280doubling or more the number of atom positions and having a very unstable
3281refinement to deal with). Next we examine our result.</p>
3282
3283<p class=MsoNormal>Go to the <b style='mso-bidi-font-weight:normal'><span
3284style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3285mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
3286tab for the magnetic phase. Then select all the atoms and do <span class=GramE><b
3287style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3288mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3289minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
3290style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3291mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> Figure/Fill
3292unit cell</span></b>. The structure will be redrawn showing the complex
3293magnetic structure.</p>
3294
3295<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3296 id="Picture_x0020_73" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:361.5pt;
3297 height:321pt;visibility:visible;mso-wrap-style:square'>
3298 <v:imagedata src="Magnetic-V_files/image144.png" o:title=""/>
3299</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=428
3300src="Magnetic-V_files/image145.gif" v:shapes="Picture_x0020_73"><![endif]></span></p>
3301
3302<p class=MsoNormal>I’ve colored the tetrahedral <span class=SpellE>Mn</span>
3303atoms as orange to distinguish them from the octahedral ones; you can do that
3304by selecting <b style='mso-bidi-font-weight:normal'><span style='font-family:
3305"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
3306minor-latin;mso-bidi-theme-font:minor-latin'>Mn1_0</span></b> from the <b
3307style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3308mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
3309minor-latin'>Name</span></b> column (double click the heading and select from
3310the popup). Then do <b style='mso-bidi-font-weight:normal'><span
3311style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
3312mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit Figure/Atom
3313color</span></b>; select the color from the pallet. The tetrahedral ones are
3314ordered aligned <span class=SpellE>ferromagnetically</span> along the doubled
3315b-axis while the rest are in two intersecting ferromagnetic layers to give an overall
3316antiferromagnetic structure. This arrangement is essentially that of Jensen
3317&amp; Nielsen but with a properly selected magnetic space group, <span
3318class=SpellE>Pb’na</span>’, as a subgroup of I4<sub>1</sub>/<span class=SpellE>amd</span>,
3319and associated set of unique magnetic <span class=SpellE>Mn</span> atoms. This
3320completes this tutorial, you can save the project if you wish.</p>
3321
3322</div>
3323
3324</body>
3325
3326</html>
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