source: Tutorials/Magnetic-II/Magnetic-II.htm @ 4271

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412  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
413  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
414  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
415  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
416  <w:LsdException Locked="false" Priority="34" QFormat="true"
417   Name="List Paragraph"/>
418  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
419  <w:LsdException Locked="false" Priority="30" QFormat="true"
420   Name="Intense Quote"/>
421  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
422  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
423  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
424  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
425  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
426  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
427  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
428  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
429  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
430  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
431  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
432  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
433  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
434  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
435  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
436  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
439  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
440  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
441  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
442  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
443  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
444  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
445  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
446  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
447  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
448  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
449  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
450  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
453  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
454  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
455  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
456  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
457  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
458  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
459  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
460  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
461  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
462  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
463  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
464  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
467  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
468  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
469  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
470  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
471  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
472  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
473  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
474  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
475  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
476  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
477  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
478  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
481  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
482  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
483  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
484  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
485  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
486  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
487  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
488  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
489  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
490  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
491  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
492  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
495  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
496  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
497  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
498  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
499  <w:LsdException Locked="false" Priority="19" QFormat="true"
500   Name="Subtle Emphasis"/>
501  <w:LsdException Locked="false" Priority="21" QFormat="true"
502   Name="Intense Emphasis"/>
503  <w:LsdException Locked="false" Priority="31" QFormat="true"
504   Name="Subtle Reference"/>
505  <w:LsdException Locked="false" Priority="32" QFormat="true"
506   Name="Intense Reference"/>
507  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
508  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
509   UnhideWhenUsed="true" Name="Bibliography"/>
510  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
511   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
512  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
513  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
514  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
515  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
516  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
517  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
518  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
519  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
520  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
521  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
522  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
523  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
524  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
525  <w:LsdException Locked="false" Priority="46"
526   Name="Grid Table 1 Light Accent 1"/>
527  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
528  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
529  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
530  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
531  <w:LsdException Locked="false" Priority="51"
532   Name="Grid Table 6 Colorful Accent 1"/>
533  <w:LsdException Locked="false" Priority="52"
534   Name="Grid Table 7 Colorful Accent 1"/>
535  <w:LsdException Locked="false" Priority="46"
536   Name="Grid Table 1 Light Accent 2"/>
537  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
538  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
539  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
540  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
541  <w:LsdException Locked="false" Priority="51"
542   Name="Grid Table 6 Colorful Accent 2"/>
543  <w:LsdException Locked="false" Priority="52"
544   Name="Grid Table 7 Colorful Accent 2"/>
545  <w:LsdException Locked="false" Priority="46"
546   Name="Grid Table 1 Light Accent 3"/>
547  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
548  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
549  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
550  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
551  <w:LsdException Locked="false" Priority="51"
552   Name="Grid Table 6 Colorful Accent 3"/>
553  <w:LsdException Locked="false" Priority="52"
554   Name="Grid Table 7 Colorful Accent 3"/>
555  <w:LsdException Locked="false" Priority="46"
556   Name="Grid Table 1 Light Accent 4"/>
557  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
558  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
559  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
560  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
561  <w:LsdException Locked="false" Priority="51"
562   Name="Grid Table 6 Colorful Accent 4"/>
563  <w:LsdException Locked="false" Priority="52"
564   Name="Grid Table 7 Colorful Accent 4"/>
565  <w:LsdException Locked="false" Priority="46"
566   Name="Grid Table 1 Light Accent 5"/>
567  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
568  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
569  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
570  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
571  <w:LsdException Locked="false" Priority="51"
572   Name="Grid Table 6 Colorful Accent 5"/>
573  <w:LsdException Locked="false" Priority="52"
574   Name="Grid Table 7 Colorful Accent 5"/>
575  <w:LsdException Locked="false" Priority="46"
576   Name="Grid Table 1 Light Accent 6"/>
577  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
578  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
579  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
580  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
581  <w:LsdException Locked="false" Priority="51"
582   Name="Grid Table 6 Colorful Accent 6"/>
583  <w:LsdException Locked="false" Priority="52"
584   Name="Grid Table 7 Colorful Accent 6"/>
585  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
586  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
587  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
588  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
589  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
590  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
591  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
592  <w:LsdException Locked="false" Priority="46"
593   Name="List Table 1 Light Accent 1"/>
594  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
595  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
596  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
597  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
598  <w:LsdException Locked="false" Priority="51"
599   Name="List Table 6 Colorful Accent 1"/>
600  <w:LsdException Locked="false" Priority="52"
601   Name="List Table 7 Colorful Accent 1"/>
602  <w:LsdException Locked="false" Priority="46"
603   Name="List Table 1 Light Accent 2"/>
604  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
605  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
606  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
607  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
608  <w:LsdException Locked="false" Priority="51"
609   Name="List Table 6 Colorful Accent 2"/>
610  <w:LsdException Locked="false" Priority="52"
611   Name="List Table 7 Colorful Accent 2"/>
612  <w:LsdException Locked="false" Priority="46"
613   Name="List Table 1 Light Accent 3"/>
614  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
615  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
616  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
617  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
618  <w:LsdException Locked="false" Priority="51"
619   Name="List Table 6 Colorful Accent 3"/>
620  <w:LsdException Locked="false" Priority="52"
621   Name="List Table 7 Colorful Accent 3"/>
622  <w:LsdException Locked="false" Priority="46"
623   Name="List Table 1 Light Accent 4"/>
624  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
625  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
626  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
627  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
628  <w:LsdException Locked="false" Priority="51"
629   Name="List Table 6 Colorful Accent 4"/>
630  <w:LsdException Locked="false" Priority="52"
631   Name="List Table 7 Colorful Accent 4"/>
632  <w:LsdException Locked="false" Priority="46"
633   Name="List Table 1 Light Accent 5"/>
634  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
635  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
636  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
637  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
638  <w:LsdException Locked="false" Priority="51"
639   Name="List Table 6 Colorful Accent 5"/>
640  <w:LsdException Locked="false" Priority="52"
641   Name="List Table 7 Colorful Accent 5"/>
642  <w:LsdException Locked="false" Priority="46"
643   Name="List Table 1 Light Accent 6"/>
644  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
645  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
646  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
647  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
648  <w:LsdException Locked="false" Priority="51"
649   Name="List Table 6 Colorful Accent 6"/>
650  <w:LsdException Locked="false" Priority="52"
651   Name="List Table 7 Colorful Accent 6"/>
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783        {mso-style-noshow:yes;
784        mso-style-priority:99;
785        color:#954F72;
786        mso-themecolor:followedhyperlink;
787        text-decoration:underline;
788        text-underline:single;}
789p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
790        {mso-style-priority:34;
791        mso-style-unhide:no;
792        mso-style-qformat:yes;
793        margin-top:0in;
794        margin-right:0in;
795        margin-bottom:0in;
796        margin-left:.5in;
797        margin-bottom:.0001pt;
798        mso-add-space:auto;
799        mso-pagination:widow-orphan;
800        font-size:12.0pt;
801        font-family:"Times New Roman",serif;
802        mso-fareast-font-family:"Times New Roman";
803        mso-fareast-theme-font:minor-fareast;}
804p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
805        {mso-style-priority:34;
806        mso-style-unhide:no;
807        mso-style-qformat:yes;
808        mso-style-type:export-only;
809        margin-top:0in;
810        margin-right:0in;
811        margin-bottom:0in;
812        margin-left:.5in;
813        margin-bottom:.0001pt;
814        mso-add-space:auto;
815        mso-pagination:widow-orphan;
816        font-size:12.0pt;
817        font-family:"Times New Roman",serif;
818        mso-fareast-font-family:"Times New Roman";
819        mso-fareast-theme-font:minor-fareast;}
820p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
821        {mso-style-priority:34;
822        mso-style-unhide:no;
823        mso-style-qformat:yes;
824        mso-style-type:export-only;
825        margin-top:0in;
826        margin-right:0in;
827        margin-bottom:0in;
828        margin-left:.5in;
829        margin-bottom:.0001pt;
830        mso-add-space:auto;
831        mso-pagination:widow-orphan;
832        font-size:12.0pt;
833        font-family:"Times New Roman",serif;
834        mso-fareast-font-family:"Times New Roman";
835        mso-fareast-theme-font:minor-fareast;}
836p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
837        {mso-style-priority:34;
838        mso-style-unhide:no;
839        mso-style-qformat:yes;
840        mso-style-type:export-only;
841        margin-top:0in;
842        margin-right:0in;
843        margin-bottom:0in;
844        margin-left:.5in;
845        margin-bottom:.0001pt;
846        mso-add-space:auto;
847        mso-pagination:widow-orphan;
848        font-size:12.0pt;
849        font-family:"Times New Roman",serif;
850        mso-fareast-font-family:"Times New Roman";
851        mso-fareast-theme-font:minor-fareast;}
852span.Heading1Char
853        {mso-style-name:"Heading 1 Char";
854        mso-style-priority:9;
855        mso-style-unhide:no;
856        mso-style-locked:yes;
857        mso-style-link:"Heading 1";
858        mso-ansi-font-size:24.0pt;
859        mso-bidi-font-size:24.0pt;
860        font-family:"Times New Roman",serif;
861        mso-ascii-font-family:"Times New Roman";
862        mso-fareast-font-family:"Times New Roman";
863        mso-fareast-theme-font:minor-fareast;
864        mso-hansi-font-family:"Times New Roman";
865        mso-bidi-font-family:"Times New Roman";
866        mso-font-kerning:18.0pt;
867        font-weight:bold;}
868span.Heading2Char
869        {mso-style-name:"Heading 2 Char";
870        mso-style-noshow:yes;
871        mso-style-priority:9;
872        mso-style-unhide:no;
873        mso-style-locked:yes;
874        mso-style-link:"Heading 2";
875        mso-ansi-font-size:18.0pt;
876        mso-bidi-font-size:18.0pt;
877        font-family:"Times New Roman",serif;
878        mso-ascii-font-family:"Times New Roman";
879        mso-fareast-font-family:"Times New Roman";
880        mso-fareast-theme-font:minor-fareast;
881        mso-hansi-font-family:"Times New Roman";
882        mso-bidi-font-family:"Times New Roman";
883        font-weight:bold;}
884span.Heading3Char
885        {mso-style-name:"Heading 3 Char";
886        mso-style-noshow:yes;
887        mso-style-priority:9;
888        mso-style-unhide:no;
889        mso-style-locked:yes;
890        mso-style-link:"Heading 3";
891        mso-ansi-font-size:12.0pt;
892        mso-bidi-font-size:12.0pt;
893        font-family:"Calibri Light",sans-serif;
894        mso-ascii-font-family:"Calibri Light";
895        mso-ascii-theme-font:major-latin;
896        mso-fareast-font-family:"Times New Roman";
897        mso-fareast-theme-font:major-fareast;
898        mso-hansi-font-family:"Calibri Light";
899        mso-hansi-theme-font:major-latin;
900        mso-bidi-font-family:"Times New Roman";
901        mso-bidi-theme-font:major-bidi;
902        color:#1F4D78;
903        mso-themecolor:accent1;
904        mso-themeshade:127;}
905span.Heading5Char
906        {mso-style-name:"Heading 5 Char";
907        mso-style-noshow:yes;
908        mso-style-priority:9;
909        mso-style-unhide:no;
910        mso-style-locked:yes;
911        mso-style-link:"Heading 5";
912        mso-ansi-font-size:12.0pt;
913        mso-bidi-font-size:12.0pt;
914        font-family:"Calibri Light",sans-serif;
915        mso-ascii-font-family:"Calibri Light";
916        mso-ascii-theme-font:major-latin;
917        mso-fareast-font-family:"Times New Roman";
918        mso-fareast-theme-font:major-fareast;
919        mso-hansi-font-family:"Calibri Light";
920        mso-hansi-theme-font:major-latin;
921        mso-bidi-font-family:"Times New Roman";
922        mso-bidi-theme-font:major-bidi;
923        color:#2E74B5;
924        mso-themecolor:accent1;
925        mso-themeshade:191;}
926p.msonormal0, li.msonormal0, div.msonormal0
927        {mso-style-name:msonormal;
928        mso-style-unhide:no;
929        mso-margin-top-alt:auto;
930        margin-right:0in;
931        mso-margin-bottom-alt:auto;
932        margin-left:0in;
933        mso-pagination:widow-orphan;
934        font-size:12.0pt;
935        font-family:"Times New Roman",serif;
936        mso-fareast-font-family:"Times New Roman";
937        mso-fareast-theme-font:minor-fareast;}
938span.SpellE
939        {mso-style-name:"";
940        mso-spl-e:yes;}
941span.GramE
942        {mso-style-name:"";
943        mso-gram-e:yes;}
944.MsoChpDefault
945        {mso-style-type:export-only;
946        mso-default-props:yes;
947        font-size:10.0pt;
948        mso-ansi-font-size:10.0pt;
949        mso-bidi-font-size:10.0pt;
950        font-family:"Calibri",sans-serif;
951        mso-ascii-font-family:Calibri;
952        mso-ascii-theme-font:minor-latin;
953        mso-fareast-font-family:Calibri;
954        mso-fareast-theme-font:minor-latin;
955        mso-hansi-font-family:Calibri;
956        mso-hansi-theme-font:minor-latin;
957        mso-bidi-font-family:"Times New Roman";
958        mso-bidi-theme-font:minor-bidi;}
959@page WordSection1
960        {size:8.5in 11.0in;
961        margin:1.0in 1.0in 1.0in 1.0in;
962        mso-header-margin:.5in;
963        mso-footer-margin:.5in;
964        mso-paper-source:0;}
965div.WordSection1
966        {page:WordSection1;}
967 /* List Definitions */
968 @list l0
969        {mso-list-id:202911215;
970        mso-list-type:hybrid;
971        mso-list-template-ids:-373133466 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
972@list l0:level1
973        {mso-level-tab-stop:none;
974        mso-level-number-position:left;
975        margin-left:.25in;
976        text-indent:-.25in;}
977@list l0:level2
978        {mso-level-number-format:alpha-lower;
979        mso-level-tab-stop:none;
980        mso-level-number-position:left;
981        margin-left:.75in;
982        text-indent:-.25in;}
983@list l0:level3
984        {mso-level-number-format:roman-lower;
985        mso-level-tab-stop:none;
986        mso-level-number-position:right;
987        margin-left:1.25in;
988        text-indent:-9.0pt;}
989@list l0:level4
990        {mso-level-tab-stop:none;
991        mso-level-number-position:left;
992        margin-left:1.75in;
993        text-indent:-.25in;}
994@list l0:level5
995        {mso-level-number-format:alpha-lower;
996        mso-level-tab-stop:none;
997        mso-level-number-position:left;
998        margin-left:2.25in;
999        text-indent:-.25in;}
1000@list l0:level6
1001        {mso-level-number-format:roman-lower;
1002        mso-level-tab-stop:none;
1003        mso-level-number-position:right;
1004        margin-left:2.75in;
1005        text-indent:-9.0pt;}
1006@list l0:level7
1007        {mso-level-tab-stop:none;
1008        mso-level-number-position:left;
1009        margin-left:3.25in;
1010        text-indent:-.25in;}
1011@list l0:level8
1012        {mso-level-number-format:alpha-lower;
1013        mso-level-tab-stop:none;
1014        mso-level-number-position:left;
1015        margin-left:3.75in;
1016        text-indent:-.25in;}
1017@list l0:level9
1018        {mso-level-number-format:roman-lower;
1019        mso-level-tab-stop:none;
1020        mso-level-number-position:right;
1021        margin-left:4.25in;
1022        text-indent:-9.0pt;}
1023@list l1
1024        {mso-list-id:479426291;
1025        mso-list-type:hybrid;
1026        mso-list-template-ids:-161832190 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1027@list l1:level1
1028        {mso-level-tab-stop:none;
1029        mso-level-number-position:left;
1030        text-indent:-.25in;}
1031@list l1:level2
1032        {mso-level-number-format:alpha-lower;
1033        mso-level-tab-stop:none;
1034        mso-level-number-position:left;
1035        text-indent:-.25in;}
1036@list l1:level3
1037        {mso-level-number-format:roman-lower;
1038        mso-level-tab-stop:none;
1039        mso-level-number-position:right;
1040        text-indent:-9.0pt;}
1041@list l1:level4
1042        {mso-level-tab-stop:none;
1043        mso-level-number-position:left;
1044        text-indent:-.25in;}
1045@list l1:level5
1046        {mso-level-number-format:alpha-lower;
1047        mso-level-tab-stop:none;
1048        mso-level-number-position:left;
1049        text-indent:-.25in;}
1050@list l1:level6
1051        {mso-level-number-format:roman-lower;
1052        mso-level-tab-stop:none;
1053        mso-level-number-position:right;
1054        text-indent:-9.0pt;}
1055@list l1:level7
1056        {mso-level-tab-stop:none;
1057        mso-level-number-position:left;
1058        text-indent:-.25in;}
1059@list l1:level8
1060        {mso-level-number-format:alpha-lower;
1061        mso-level-tab-stop:none;
1062        mso-level-number-position:left;
1063        text-indent:-.25in;}
1064@list l1:level9
1065        {mso-level-number-format:roman-lower;
1066        mso-level-tab-stop:none;
1067        mso-level-number-position:right;
1068        text-indent:-9.0pt;}
1069@list l2
1070        {mso-list-id:608973138;
1071        mso-list-type:hybrid;
1072        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1073@list l2:level1
1074        {mso-level-tab-stop:none;
1075        mso-level-number-position:left;
1076        margin-left:.25in;
1077        text-indent:-.25in;}
1078@list l2:level2
1079        {mso-level-number-format:alpha-lower;
1080        mso-level-tab-stop:none;
1081        mso-level-number-position:left;
1082        margin-left:.75in;
1083        text-indent:-.25in;}
1084@list l2:level3
1085        {mso-level-number-format:roman-lower;
1086        mso-level-tab-stop:none;
1087        mso-level-number-position:right;
1088        margin-left:1.25in;
1089        text-indent:-9.0pt;}
1090@list l2:level4
1091        {mso-level-tab-stop:none;
1092        mso-level-number-position:left;
1093        margin-left:1.75in;
1094        text-indent:-.25in;}
1095@list l2:level5
1096        {mso-level-number-format:alpha-lower;
1097        mso-level-tab-stop:none;
1098        mso-level-number-position:left;
1099        margin-left:2.25in;
1100        text-indent:-.25in;}
1101@list l2:level6
1102        {mso-level-number-format:roman-lower;
1103        mso-level-tab-stop:none;
1104        mso-level-number-position:right;
1105        margin-left:2.75in;
1106        text-indent:-9.0pt;}
1107@list l2:level7
1108        {mso-level-tab-stop:none;
1109        mso-level-number-position:left;
1110        margin-left:3.25in;
1111        text-indent:-.25in;}
1112@list l2:level8
1113        {mso-level-number-format:alpha-lower;
1114        mso-level-tab-stop:none;
1115        mso-level-number-position:left;
1116        margin-left:3.75in;
1117        text-indent:-.25in;}
1118@list l2:level9
1119        {mso-level-number-format:roman-lower;
1120        mso-level-tab-stop:none;
1121        mso-level-number-position:right;
1122        margin-left:4.25in;
1123        text-indent:-9.0pt;}
1124@list l3
1125        {mso-list-id:974749577;
1126        mso-list-type:hybrid;
1127        mso-list-template-ids:-1793575708 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1128@list l3:level1
1129        {mso-level-tab-stop:none;
1130        mso-level-number-position:left;
1131        margin-left:.75in;
1132        text-indent:-.25in;}
1133@list l3:level2
1134        {mso-level-number-format:alpha-lower;
1135        mso-level-tab-stop:none;
1136        mso-level-number-position:left;
1137        margin-left:1.25in;
1138        text-indent:-.25in;}
1139@list l3:level3
1140        {mso-level-number-format:roman-lower;
1141        mso-level-tab-stop:none;
1142        mso-level-number-position:right;
1143        margin-left:1.75in;
1144        text-indent:-9.0pt;}
1145@list l3:level4
1146        {mso-level-tab-stop:none;
1147        mso-level-number-position:left;
1148        margin-left:2.25in;
1149        text-indent:-.25in;}
1150@list l3:level5
1151        {mso-level-number-format:alpha-lower;
1152        mso-level-tab-stop:none;
1153        mso-level-number-position:left;
1154        margin-left:2.75in;
1155        text-indent:-.25in;}
1156@list l3:level6
1157        {mso-level-number-format:roman-lower;
1158        mso-level-tab-stop:none;
1159        mso-level-number-position:right;
1160        margin-left:3.25in;
1161        text-indent:-9.0pt;}
1162@list l3:level7
1163        {mso-level-tab-stop:none;
1164        mso-level-number-position:left;
1165        margin-left:3.75in;
1166        text-indent:-.25in;}
1167@list l3:level8
1168        {mso-level-number-format:alpha-lower;
1169        mso-level-tab-stop:none;
1170        mso-level-number-position:left;
1171        margin-left:4.25in;
1172        text-indent:-.25in;}
1173@list l3:level9
1174        {mso-level-number-format:roman-lower;
1175        mso-level-tab-stop:none;
1176        mso-level-number-position:right;
1177        margin-left:4.75in;
1178        text-indent:-9.0pt;}
1179@list l4
1180        {mso-list-id:1048064912;
1181        mso-list-type:hybrid;
1182        mso-list-template-ids:114964210 -1909277668 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1183@list l4:level1
1184        {mso-level-tab-stop:none;
1185        mso-level-number-position:left;
1186        text-indent:-.25in;}
1187@list l4:level2
1188        {mso-level-number-format:alpha-lower;
1189        mso-level-tab-stop:none;
1190        mso-level-number-position:left;
1191        text-indent:-.25in;}
1192@list l4:level3
1193        {mso-level-number-format:roman-lower;
1194        mso-level-tab-stop:none;
1195        mso-level-number-position:right;
1196        text-indent:-9.0pt;}
1197@list l4:level4
1198        {mso-level-tab-stop:none;
1199        mso-level-number-position:left;
1200        text-indent:-.25in;}
1201@list l4:level5
1202        {mso-level-number-format:alpha-lower;
1203        mso-level-tab-stop:none;
1204        mso-level-number-position:left;
1205        text-indent:-.25in;}
1206@list l4:level6
1207        {mso-level-number-format:roman-lower;
1208        mso-level-tab-stop:none;
1209        mso-level-number-position:right;
1210        text-indent:-9.0pt;}
1211@list l4:level7
1212        {mso-level-tab-stop:none;
1213        mso-level-number-position:left;
1214        text-indent:-.25in;}
1215@list l4:level8
1216        {mso-level-number-format:alpha-lower;
1217        mso-level-tab-stop:none;
1218        mso-level-number-position:left;
1219        text-indent:-.25in;}
1220@list l4:level9
1221        {mso-level-number-format:roman-lower;
1222        mso-level-tab-stop:none;
1223        mso-level-number-position:right;
1224        text-indent:-9.0pt;}
1225@list l5
1226        {mso-list-id:1907304903;
1227        mso-list-type:hybrid;
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1307</head>
1308
1309<body lang=EN-US link=blue vlink="#954F72" style='tab-interval:.5in'>
1310
1311<div class=WordSection1>
1312
1313<h1>Magnetic Structures in GSAS-II – II</h1>
1314
1315<h2>Introduction</h2>
1316
1317<p class=MsoNormal>In this tutorials, we continue to show how GSAS-II makes use
1318of the Bilbao crystallographic server (<a href="http://www.cryst.ehu.es/">www.cryst.ehu.es/</a>)
1319<i style='mso-bidi-font-style:normal'>Magnetic Symmetry and Applications</i> routine
1320k-SUBGROUPSMAG (<a href="http://iopscience.iop.org/0953-8984/28/28/286001"><span
1321style='font-size:10.0pt;font-family:"Arial",sans-serif'>Perez-Mato, JM; <span
1322class=SpellE>Gallego</span>, SV; <span class=SpellE>Elcoro</span>, L; <span
1323class=SpellE>Tasci</span>, E and <span class=SpellE>Aroyo</span>, MI, <i>J. of
1324Phys.: <span class=SpellE>Condens</span> Matter</i> (2016), <b>28</b>:28601</span></a>)
1325to determine magnetic crystal structures. If you have not done so already, you
1326may wish to do the Simple Magnetic Structures tutorial first as it contains
1327some background information that will not be covered here as well as the
1328Magnetic Structures-I tutorial. To make this work, your computer must have an
1329internet connection for GSAS-II to access this site. (We will supply the
1330project file that results after k-SUBGROUPSMAG is called in case you lack
1331internet access)</p>
1332
1333<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1334
1335<p class=MsoNormal>In this example, we will determine the magnetic structure
1336for Cr<sub>2</sub>WO<sub>6</sub> from neutron data taken on HB2A at the HIFR
1337Oak Ridge National Laboratory at 4K and &#955;=2.4067Å. The material begins to
1338order <span class=SpellE>antiferromagnetically</span> at ~90K and becomes
1339apparently fully ordered at ~30K. We also have a data set taken with the sample
1340at 150K which can be used to get a refinement of the chemical structure
1341beforehand. The chemical structure is P4<sub>2</sub>/<span class=SpellE>mnm</span>
1342with a=4.58328 Å and c=8.85289 Å. As we will see, in this case the magnetic
1343space group is a subgroup of the parent chemical one but is orthorhombic and
1344not tetragonal like the parent. We will use <span class=SpellE>k_SUBGROUPSMAG</span>
1345to help sort this out.</p>
1346
1347<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1348
1349<p class=MsoNormal>If you have not done so already, start GSAS-II (make sure
1350about the internet connection!).</p>
1351
1352<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1353
1354<h1>Refining the 150K structure</h1>
1355
1356<h2>Step 1. Read in the data file</h2>
1357
1358<p class=MsoListParagraph style='margin-left:.25in;mso-add-space:auto;
1359text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
1360style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1361style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1362the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1363mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1364minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or Fit2D
1365chi file</span></b> menu item to read the data file into the current GSAS-II
1366project. This read option is set to read the <span class=SpellE><b
1367style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1368mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1369minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
1370class=SpellE>Topas</span>, etc.<span style='mso-spacerun:yes'>  </span>Because
1371you used <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1372minor-latin'>the </span><b style='mso-bidi-font-weight:normal'><span
1373style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1374mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1375minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
1376Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
1377downloaded the exercise files (recommended), then the </span><b
1378style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1379mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1380minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-II/data/...</span></b><span
1381style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1382entry will bring you to the location where the files have been downloaded. (It
1383is also possible to download them manually from <a
1384href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/</a>.
1385In this case you will need to navigate to the download location manually.)<br>
1386For this tutorial you will not see the data file in the file browser, because
1387the extensions on data file is not the expected ones, you will need to change
1388the file type to </span><b style='mso-bidi-font-weight:normal'><span
1389style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1390mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1391minor-latin;mso-bidi-theme-font:minor-latin'>All files (*.*)</span></b><span
1392style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'> to
1393find the desired file.</span></p>
1394
1395<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1396
1397<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1398text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
1399style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1400style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1401the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1402mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1403minor-latin'>Cr2WO6_T150K.dat</span></b><span style='font-family:"Calibri",sans-serif;
1404mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1405minor-latin'> data</span> file in the first dialog and press <b
1406style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1407mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1408minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1409class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1410"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1411minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1412style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1413mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1414minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1415style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1416mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1417minor-latin'>Yes</span></b></span> button to proceed.</p>
1418
1419<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1420auto;text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
1421style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1422style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1423this data file does not define an instrument parameter file, a file dialog will
1424appear for you to select the correct instrument parameter file. Select <b
1425style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1426mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1427minor-latin'>Cr2WO6_T4K_dat.prm</span></b>; you may have to change the file
1428type in the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1429style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1430mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1431class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1432style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1433mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1434minor-latin'>GSAS-II data tree</span></b> window will have several entries </p>
1435
1436<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'><span
1437style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype id="_x0000_t75"
1438 coordsize="21600,21600" o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe"
1439 filled="f" stroked="f">
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1441 <v:formulas>
1442  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1443  <v:f eqn="sum @0 1 0"/>
1444  <v:f eqn="sum 0 0 @1"/>
1445  <v:f eqn="prod @2 1 2"/>
1446  <v:f eqn="prod @3 21600 pixelWidth"/>
1447  <v:f eqn="prod @3 21600 pixelHeight"/>
1448  <v:f eqn="sum @0 0 1"/>
1449  <v:f eqn="prod @6 1 2"/>
1450  <v:f eqn="prod @7 21600 pixelWidth"/>
1451  <v:f eqn="sum @8 21600 0"/>
1452  <v:f eqn="prod @7 21600 pixelHeight"/>
1453  <v:f eqn="sum @10 21600 0"/>
1454 </v:formulas>
1455 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1456 <o:lock v:ext="edit" aspectratio="t"/>
1457</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1060" type="#_x0000_t75"
1458 style='width:339.75pt;height:222.75pt;visibility:visible;mso-wrap-style:square'>
1459 <v:imagedata src="Magnetic-II_files/image001.png" o:title=""/>
1460</v:shape><![endif]--><![if !vml]><img border=0 width=453 height=297
1461src="Magnetic-II_files/image007.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
1462
1463<p class=MsoNormal style='text-indent:.25in'><span class=GramE>and</span> the
1464plot window will show the powder pattern</p>
1465
1466<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto'><span
1467style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2"
1468 o:spid="_x0000_i1059" type="#_x0000_t75" style='width:341.25pt;height:348.75pt;
1469 visibility:visible;mso-wrap-style:square'>
1470 <v:imagedata src="Magnetic-II_files/image003.png" o:title=""/>
1471</v:shape><![endif]--><![if !vml]><img border=0 width=455 height=465
1472src="Magnetic-II_files/image008.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
1473
1474<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto'>We
1475will leave the limits alone for this purpose.</p>
1476
1477<h2>Step 2. Read in the chemical structure for Cr<sub>2</sub>WO<sub>6</sub></h2>
1478
1479<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1480text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
1481style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1482style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1483the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1484mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1485minor-latin'>Import/Phase/from CIF file</span></b> menu item to read the phase
1486information for Cr<sub>2</sub>WO<sub>6</sub> into the current GSAS-II project.
1487This read option is set to read Crystallographic Information Files (CIF). Other
1488submenu items will read phase information in other formats.<span
1489style='mso-spacerun:yes'>  </span>Because you used <span style='mso-fareast-font-family:
1490Calibri;mso-fareast-theme-font:minor-latin'>the </span><b style='mso-bidi-font-weight:
1491normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1492minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1493mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1494style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1495menu entry to open this page and downloaded the exercise files (recommended),
1496then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1497"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1498Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-II/data/...</span></b><span
1499style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1500entry will bring you to the location where the files have been downloaded. (It
1501is also possible to download them manually from <a
1502href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/</a>.
1503In this case you will need to navigate to the download location manually.)</span></p>
1504
1505<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
1506auto;text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
1507style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1508style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1509the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1510mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1511minor-latin'>Cr2WO6.cif</span></b><span style='font-family:"Calibri",sans-serif;
1512mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1513minor-latin'> data</span> file in the first dialog and press <b
1514style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1515mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1516minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1517class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1518"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1519minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1520style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1521mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1522minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1523style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1524mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1525minor-latin'>Yes</span></b></span> button to proceed. You will get the
1526opportunity to change the phase name next (I changed it to Cr2WO6!); press <b
1527style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1528mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1529minor-latin'>OK</span></b> to continue.</p>
1530
1531<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1532text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span
1533style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1534style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1535is the histogram selection window; this connects the phase to the data so it
1536can be used in subsequent calculations.<span style='mso-no-proof:yes'> </span>Select
1537the histogram (or press <b style='mso-bidi-font-weight:normal'><span
1538style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1539mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>)
1540and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1541mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1542minor-latin'>OK</span></b>. The General tab for the phase is shown next<br>
1543<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_3"
1544 o:spid="_x0000_i1058" type="#_x0000_t75" style='width:342.75pt;height:177pt;
1545 visibility:visible;mso-wrap-style:square'>
1546 <v:imagedata src="Magnetic-II_files/image005.png" o:title=""/>
1547</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=236
1548src="Magnetic-II_files/image009.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
1549
1550<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1551
1552<h2>Step 3. Structure refinement</h2>
1553
1554<p class=MsoNormal>We are now ready for initial refinement of scale and
1555background. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
1556"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1557minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> from
1558the main menu; a File Selection dialog will appear wanting a file name for your
1559project. I used <b style='mso-bidi-font-weight:normal'><span style='font-family:
1560"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1561minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6 150K</span></b>; the
1562refinement proceeded quickly. The fit is quite poor (<span class=SpellE>wR</span>
1563~46%), mostly from bad peak positions. This is a combination of lattice
1564parameters being smaller at 150K vs room temperature and sample placement on
1565the goniometer. Find the <b style='mso-bidi-font-weight:normal'><span
1566style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1567mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
1568Parameters</span></b> entry in the tree change the goniometer radius to <b
1569style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1570mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1571minor-latin'>1000</span></b> and set the refinement boxes for <b
1572style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1573mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1574minor-latin'>Sample X &amp; <span class=SpellE>Ydispl</span>.</span></b> Then
1575go to the <b style='mso-bidi-font-weight:normal'>Cr2WO6</b> phase and set the
1576lattice parameter refinement. Do <b style='mso-bidi-font-weight:normal'><span
1577style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1578mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>;
1579the residual will be much improved (<span class=SpellE>wR</span>=12.9%).
1580Interestingly, the sample position is displaced by ~ -5.9mm along the
1581X-direction &amp; ~ -1.8mm in the Y-direction. Finally, go to the <b
1582style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1583mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1584minor-latin'>Atoms</span></b> tab and set refinement flags X &amp; U for all
1585atoms. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1586mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1587minor-latin'>Calculate/Refine</span></b>; the residual will be a bit better (<span
1588class=SpellE>wR</span> = 11.69%). We are done with this step; <span
1589class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1590"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1591minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b></span> the project
1592&amp; close GSAS-II; we will use this phase information for the magnetic
1593structure study.</p>
1594
1595<h1>The magnetic structure of Cr<sub>2</sub>WO<sub>6</sub></h1>
1596
1597<h2>Step 1. Read in the data file</h2>
1598
1599<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
1600style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1601style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><i
1602style='mso-bidi-font-style:normal'>Use the </i><b style='mso-bidi-font-weight:
1603normal'><i style='mso-bidi-font-style:normal'><span style='font-family:"Calibri",sans-serif;
1604mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1605minor-latin'>Import/Powder Data/from TOPAS <span class=SpellE>xye</span> or
1606Fit2D chi file</span></i></b><i style='mso-bidi-font-style:normal'> menu item
1607to read the</i> data file into the current GSAS-II project. This read option is
1608set to read the powder data format used by <span class=SpellE>Topas</span>,
1609etc.<span style='mso-spacerun:yes'>  </span>Because you used <span
1610style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>the </span><b
1611style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1612mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1613minor-latin;mso-hansi-theme-font:minor-latin'>Help/Download tutorial</span></b><span
1614style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1615menu entry to open this page and downloaded the exercise files (recommended),
1616then the </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1617"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
1618Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Magnetic-II/data/...</span></b><span
1619style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
1620entry will bring you to the location where the files have been downloaded. (It
1621is also possible to download them manually from <a
1622href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-II/data/</a>.
1623In this case you will need to navigate to the download location manually.)<br>
1624For this tutorial you will not see the data file in the file browser, because
1625the extensions on data files are not the expected ones, you will need to change
1626the file type to </span><b style='mso-bidi-font-weight:normal'><span
1627style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1628mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
1629minor-latin;mso-bidi-theme-font:minor-latin'>All files (*.*)</span></b><span
1630style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'> to
1631find the desired file.</span></p>
1632
1633<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
1634style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1635style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1636the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1637mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1638minor-latin'>Cr2WO6_T4K.dat</span></b><span style='font-family:"Calibri",sans-serif;
1639mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1640minor-latin'> data</span> file in the first dialog and press <b
1641style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1642mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1643minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1644class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1645"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1646minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1647style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1648mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1649minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1650style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1651mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1652minor-latin'>Yes</span></b></span> button to proceed.</p>
1653
1654<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
1655style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1656style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Since
1657this data file does not define an instrument parameter file, a file dialog will
1658appear for you to select the correct instrument parameter file. Select <b
1659style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1660mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1661minor-latin'>Cr2WO6_T4K_dat.prm</span></b>; you may have to change the file
1662type in the file selection Dialog box to <b style='mso-bidi-font-weight:normal'><span
1663style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1664mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS <span
1665class=SpellE>iparm</span> file</span></b> to see it. At this point the <b
1666style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1667mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1668minor-latin'>GSAS-II data tree</span></b> window will have several entries<br>
1669<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
1670 o:spid="_x0000_i1057" type="#_x0000_t75" style='width:324.75pt;height:204.75pt;
1671 visibility:visible;mso-wrap-style:square'>
1672 <v:imagedata src="Magnetic-II_files/image010.png" o:title=""/>
1673</v:shape><![endif]--><![if !vml]><img border=0 width=433 height=273
1674src="Magnetic-II_files/image011.png" v:shapes="Picture_x0020_4"><![endif]></span><br>
1675and the plot window will show the powder pattern<br>
1676<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5"
1677 o:spid="_x0000_i1056" type="#_x0000_t75" style='width:325.5pt;height:333pt;
1678 visibility:visible;mso-wrap-style:square'>
1679 <v:imagedata src="Magnetic-II_files/image012.png" o:title=""/>
1680</v:shape><![endif]--><![if !vml]><img border=0 width=434 height=444
1681src="Magnetic-II_files/image013.png" v:shapes="Picture_x0020_5"><![endif]></span><br>
1682<span class=GramE>We</span> will use the default limits.</p>
1683
1684<h2>Step 2. Read in the chemical structure for Cr<sub>2</sub>WO<sub>6</sub></h2>
1685
1686<p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
1687text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
1688style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1689style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1690the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1691mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1692minor-latin'>Import/Phase/from GSAS-II <span class=SpellE>gpx</span> file</span></b>
1693menu item to read the phase information for Cr<sub>2</sub>WO<sub>6</sub> into
1694the current GSAS-II project. The file you want is the one from the 1<sup>st</sup>
1695part of this tutorial and should be in your current directory. This read option
1696is set to read from other GSAS-II project files. Other submenu items can read
1697phase information in other formats.<span style='mso-spacerun:yes'>  </span></p>
1698
1699<p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
1700text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
1701style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1702style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1703the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1704mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1705minor-latin'>Cr2WO6 150K.gpx</span></b><span style='font-family:"Calibri",sans-serif;
1706mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1707minor-latin'> data</span> file in the first dialog and press <b
1708style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1709mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1710minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1711class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1712"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1713minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1714style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1715mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1716minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1717style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1718mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1719minor-latin'>Yes</span></b></span> button to proceed. You will get the
1720opportunity to change the phase name next; press <b style='mso-bidi-font-weight:
1721normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1722minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1723to continue.</p>
1724
1725<p class=MsoNormal style='margin-left:.25in'>Next is the histogram selection
1726window; this connects the phase to the data so it can be used in subsequent
1727calculations.<span style='mso-no-proof:yes'> </span>Select the histogram (or
1728press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1729mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1730minor-latin'>Set All</span></b>) and press <b style='mso-bidi-font-weight:normal'><span
1731style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1732mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1733The General tab for the phase is shown next<br>
1734<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7"
1735 o:spid="_x0000_i1055" type="#_x0000_t75" style='width:342.75pt;height:3in;
1736 visibility:visible;mso-wrap-style:square'>
1737 <v:imagedata src="Magnetic-II_files/image014.png" o:title=""/>
1738</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=288
1739src="Magnetic-II_files/image015.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
1740
1741<h2>Step 3. Check powder pattern indexing</h2>
1742
1743<p class=MsoNormal>Here the objective is to determine how the reflection
1744positions generated from the chemical (“nuclear”) crystal structure lattice
1745match up with the peaks observed for this antiferromagnet. </p>
1746
1747<p class=MsoListParagraph style='margin-left:.25in;mso-add-space:auto;
1748text-indent:-.25in;mso-list:l4 level1 lfo10'><![if !supportLists]><span
1749style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1750style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1751<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1752mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1753minor-latin'>Unit Cells List</span></b> from the tree entries under the
1754histogram (begins with PWDR); the Indexing controls will be shown<br>
1755<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8"
1756 o:spid="_x0000_i1054" type="#_x0000_t75" style='width:342.75pt;height:117.75pt;
1757 visibility:visible;mso-wrap-style:square'>
1758 <v:imagedata src="Magnetic-II_files/image016.png" o:title=""/>
1759</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=157
1760src="Magnetic-II_files/image017.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
1761
1762<p class=MsoNormal style='margin-left:.25in'>This can be use lattice parameters
1763&amp; space groups to generate expected reflection positions to check against
1764the peaks in the powder pattern. </p>
1765
1766<p class=MsoListParagraph style='margin-left:.25in;mso-add-space:auto;
1767text-indent:-.25in;mso-list:l5 level1 lfo12'><![if !supportLists]><span
1768style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1769style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>One
1770could then enter <span class=SpellE>Bravais</span> lattice, choose space group
1771&amp; enter lattice parameters by hand, but the easy way is to use the chemical
1772lattice directly. Do <b style='mso-bidi-font-weight:normal'><span
1773style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1774mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell
1775Index/Refine/Load Cell</span></b> from the menu; a Phase selection box will
1776appear with only one choice (<b style='mso-bidi-font-weight:normal'><span
1777style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1778mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6</span></b>).
1779This was taken from the Phases present in this project; there could be more
1780than one depending on what you loaded/created earlier. The <b style='mso-bidi-font-weight:
1781normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1782minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import</span></b>
1783menu item allows you to get lattice information from any one of the other phase
1784containing files known to GSAS-II. Press <b style='mso-bidi-font-weight:normal'><span
1785style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1786mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1787and the Indexing controls will be change<br>
1788<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9"
1789 o:spid="_x0000_i1053" type="#_x0000_t75" style='width:342pt;height:116.25pt;
1790 visibility:visible;mso-wrap-style:square'>
1791 <v:imagedata src="Magnetic-II_files/image018.png" o:title=""/>
1792</v:shape><![endif]--><![if !vml]><img border=0 width=456 height=155
1793src="Magnetic-II_files/image019.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
1794
1795<p class=MsoNormal style='margin-left:.25in'><span class=GramE>showing</span>
1796the lattice constants for Cr<sub>2</sub>WO<sub>6</sub> you had obtained from
1797the <span class=SpellE>gpx</span> file and the powder pattern will change
1798showing the lines for P 4<sub>2</sub>/m n m and the LaMnO<sub>3</sub> lattice
1799parameters. Change the space group to <b style='mso-bidi-font-weight:normal'><span
1800style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1801mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P 4/m <span
1802class=SpellE>m</span> <span class=SpellE>m</span></span></b>; the plot will
1803change showing the new lines.</p>
1804
1805<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1806 id="_x0000_i1052" type="#_x0000_t75" style='width:340.5pt;height:348.75pt;
1807 visibility:visible;mso-wrap-style:square'>
1808 <v:imagedata src="Magnetic-II_files/image020.png" o:title=""/>
1809</v:shape><![endif]--><![if !vml]><img border=0 width=454 height=465
1810src="Magnetic-II_files/image021.png" v:shapes="_x0000_i1052"><![endif]></span></p>
1811
1812<p class=MsoNormal style='margin-left:.25in'>Notice that every peak (apart from
1813some junk!) is indexed, especially the intense lowest angle peak. Put the
1814cursor on it to identify it (001) as that will be useful in selecting possible
1815magnetic structures. In this case ones with only <span class=SpellE>mz</span>
1816allowed by symmetry are not the correct ones. No doubling of the unit cell
1817along any axes is needed, this makes the magnetic propagation vector, <span
1818class=SpellE>kx</span> <span class=SpellE>ky</span> <span class=SpellE>kz</span>
1819= 0<span class=GramE>,0,0</span>; this will be needed in the next step.</p>
1820
1821<p class=MsoListParagraph style='margin-left:.25in;mso-add-space:auto;
1822text-indent:-.25in;mso-list:l5 level1 lfo12'><![if !supportLists]><span
1823style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1824style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Reset
1825the space group back to <b style='mso-bidi-font-weight:normal'><span
1826style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1827mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P 42/m n m</span></b>
1828<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1829mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1830minor-latin'>(VERY IMPORTANT!)</span></b> you may do a <b style='mso-bidi-font-weight:
1831normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1832minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Load
1833Cell</span></b> again if you wish).</p>
1834
1835<h2>Step 4. Run k-SUBGROUPSMAG</h2>
1836
1837<p class=MsoNormal>In this next step, you will be accessing the Bilbao
1838crystallographic server so you must be connected to the internet. In the Cell
1839Index/Refine menu select <b style='mso-bidi-font-weight:normal'><span
1840style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1841mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Run
1842k-SUBGROUPSMAG</span></b>; a small popup dialog will appear</p>
1843
1844<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1845 id="Picture_x0020_10" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:207.75pt;
1846 height:225.75pt;visibility:visible;mso-wrap-style:square'>
1847 <v:imagedata src="Magnetic-II_files/image034.png" o:title=""/>
1848</v:shape><![endif]--><![if !vml]><img border=0 width=277 height=301
1849src="Magnetic-II_files/image034.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
1850
1851<p class=MsoNormal>These are the controls for running the Bilbao routine. The
1852space group is taken from the Space Group entry on the Unit Cells window. Since
1853we did not discover any cell doubling, leave the <span class=SpellE>kx</span> <span
1854class=SpellE><span class=GramE>ky</span></span> <span class=SpellE>kz</span>
1855entries as they are. Do select <b style='mso-bidi-font-weight:normal'><span
1856style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1857mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr+3</span></b>
1858from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1859mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1860minor-latin'>test for mag. atoms</span></b> pulldown as that will restrict the
1861models to those with a nonzero magnetic moment on the Cr atoms. We will discuss
1862the other options in another tutorial. Press <b style='mso-bidi-font-weight:
1863normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1864minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>.
1865A popup dialog will appear reminding you how to cite the Bilbao routine in any
1866paper you write using this facility.</p>
1867
1868<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1869 id="Picture_x0020_11" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:357.75pt;
1870 height:123.75pt;visibility:visible;mso-wrap-style:square'>
1871 <v:imagedata src="Magnetic-II_files/image023.png" o:title=""/>
1872</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=165
1873src="Magnetic-II_files/image024.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
1874
1875<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1876style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1877mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>,
1878the nag note will also appear on the console and after a pause, the console
1879will show “request OK” indicating that the Bilbao site has responded with some
1880results. GSAS-II will next display a File Dialog asking for a project name to
1881save this project; change the directory to a useful place for your work on this
1882tutorial and give the project a name; I used <b style='mso-bidi-font-weight:
1883normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1884minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6
18854K.<o:p></o:p></span></b></p>
1886
1887<p class=MsoNormal>The GSAS-II data window will display the results from
1888k-SUBGROUPSMAG. (If k-SUBGROUPSMAG failed because you lack internet access,
1889this file is located in the same location as the powder data and <span
1890class=SpellE>cif</span> files used above were found. Do <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'>File/Open
1893Project</span></b> from the main menu to access it as “<b style='mso-bidi-font-weight:
1894normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1895minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6
18964K.gpx</span></b>”).</p>
1897
1898<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1899 id="Picture_x0020_37" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:357.75pt;
1900 height:312pt;visibility:visible;mso-wrap-style:square'>
1901 <v:imagedata src="Magnetic-II_files/image026.png" o:title=""/>
1902</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=416
1903src="Magnetic-II_files/image030.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
1904
1905<p class=MsoNormal>The table shows all the magnetic space groups that are
1906possible starting with P 4<sub>2</sub>/m n m and zero propagation vector; this
1907is noted in the table heading. Notice that it goes all the way to a triclinic
1908P1 magnetic space group; you probably will never need to go that far to find a
1909suitable magnetic space group. The ones marked ‘Keep’ have a possibly magnetic
1910Cr atom based on the magnetic site symmetries of the transformed atom positions
1911(there may be more than one – see the <span class=SpellE>Uniq</span> column for
1912how many there are). Each entry also shows the transformation matrix in
1913symbolic form and the necessary origin shift so that the new structure is
1914properly positioned to satisfy the new space group. There are ~90 entries in
1915this table; one of them is the correct one so we have some searching to do.</p>
1916
1917<h2>Step 5. Checking indexing</h2>
1918
1919<p class=MsoNormal>The process here is simple (if a bit tedious); simply select
1920<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1921mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1922minor-latin'>Try</span></b> for any row marked Keep. If the calculated pattern
1923doesn’t index the peaks (especially the 1<sup>st</sup> one), <span
1924class=SpellE>unKeep</span> it and try the next one. Go at least as far as the
192564<sup>th</sup> row which covers the tetragonal and orthorhombic space groups.
1926Alternatively, one could change the filters on the space groups to be <span
1927class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1928"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1929minor-latin;mso-bidi-theme-font:minor-latin'>Keep</span></b>ed</span> by only
1930choosing those with just one magnetic Cr (see the <span class=SpellE>Uniq</span>
1931column for these). Double click the Keep column heading; a small popup dialog
1932will appear</p>
1933
1934<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1935 id="Picture_x0020_38" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:188.25pt;
1936 height:126pt;visibility:visible;mso-wrap-style:square'>
1937 <v:imagedata src="Magnetic-II_files/image053.png" o:title=""/>
1938</v:shape><![endif]--><![if !vml]><img border=0 width=251 height=168
1939src="Magnetic-II_files/image053.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
1940
1941<p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
1942style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1943mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1</span></b>
1944for max unique and select <b style='mso-bidi-font-weight:normal'><span
1945style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1946mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr+3</span></b>
1947from the test for mag atoms item; then press <b style='mso-bidi-font-weight:
1948normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1949minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Ok</span></b>.
1950The Unit Cell List will be redrawn</p>
1951
1952<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1953 id="_x0000_i1047" type="#_x0000_t75" style='width:374.25pt;height:327pt;
1954 visibility:visible;mso-wrap-style:square'>
1955 <v:imagedata src="Magnetic-II_files/image061.png" o:title=""/>
1956</v:shape><![endif]--><![if !vml]><img border=0 width=499 height=436
1957src="Magnetic-II_files/image063.png" v:shapes="_x0000_i1047"><![endif]></span></p>
1958
1959<p class=MsoNormal>Now do the <b style='mso-bidi-font-weight:normal'><span
1960style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1961mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Try</span></b>
1962of each one marked Keep; there are fewer than before since only those with 1 <span
1963class=SpellE>Uniq</span> are marked Keep.</p>
1964
1965<p class=MsoNormal>There are no tetragonal ones and only 4 orthorhombic ones
1966that index the pattern. Most likely, the correct one will have only one Cr atom
1967position with m<sub>x</sub> and/or m<sub>y</sub> moments allowed; no solutions
1968with just <span class=SpellE>m<sub>z</sub></span> are permitted because the 001
1969reflection is strong. To find the correct one we have to try to create magnetic
1970phases for each examining the Cr atom moments with this criteria.</p>
1971
1972<h2>Step 6. Select 1<sup>st</sup> magnetic structure</h2>
1973
1974<p class=MsoNormal><span style='mso-spacerun:yes'> </span>Select the <b
1975style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1976mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1977minor-latin'>Cr2WO6</span></b> phase from the GSAS-II data tree (under Phases).
1978The General tab is shown for this nuclear phase.</p>
1979
1980<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1981 id="Picture_x0020_15" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:357.75pt;
1982 height:226.5pt;visibility:visible;mso-wrap-style:square'>
1983 <v:imagedata src="Magnetic-II_files/image029.png" o:title=""/>
1984</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=302
1985src="Magnetic-II_files/image064.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
1986
1987<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1988style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1989mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
1990magnetic/subgroup phase</span></b>; that will make a small popup dialog</p>
1991
1992<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1993 id="Picture_x0020_44" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:195pt;
1994 height:200.25pt;visibility:visible;mso-wrap-style:square'>
1995 <v:imagedata src="Magnetic-II_files/image065.png" o:title=""/>
1996</v:shape><![endif]--><![if !vml]><img border=0 width=260 height=267
1997src="Magnetic-II_files/image065.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
1998
1999<p class=MsoNormal>This shows all magnetic phases that were marked Keep in the
2000Unit Cells List; for each you see the transformation and vector (occasionally
2001two results will have the same space group but are different translations).
2002Select the 1<sup>st</sup> one and press <b style='mso-bidi-font-weight:normal'><span
2003style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2004mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
2005a new popup dialog will appear.</p>
2006
2007<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2008 id="Picture_x0020_45" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:264.75pt;
2009 height:92.25pt;visibility:visible;mso-wrap-style:square'>
2010 <v:imagedata src="Magnetic-II_files/image066.png" o:title=""/>
2011</v:shape><![endif]--><![if !vml]><img border=0 width=353 height=123
2012src="Magnetic-II_files/image066.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
2013
2014<p class=MsoNormal>This one, #40 P <span class=SpellE>n’nm</span>’, has <span
2015class=SpellE>Mx</span> &amp; My allowed moments on a single Cr atom. Press <b
2016style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2017mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2018minor-latin'>Yes</span></b>. The project will be saved first, then a file dialog
2019box will appear offering a project name for this magnetic structure. It is
2020named with the number from the space group list; press <b style='mso-bidi-font-weight:
2021normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2022minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save.</span></b>
2023The new project will be opened to the General tab for <span class=SpellE>Pn’nm</span>’
2024magnetic phase just created.</p>
2025
2026<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2027 id="Picture_x0020_18" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:362.25pt;
2028 height:228.75pt;visibility:visible;mso-wrap-style:square'>
2029 <v:imagedata src="Magnetic-II_files/image043.png" o:title=""/>
2030</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=305
2031src="Magnetic-II_files/image067.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
2032
2033<p class=MsoNormal>Now select the Atoms tab for the magnetic phase</p>
2034
2035<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2036 id="Picture_x0020_19" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:362.25pt;
2037 height:75pt;visibility:visible;mso-wrap-style:square'>
2038 <v:imagedata src="Magnetic-II_files/image045.png" o:title=""/>
2039</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=100
2040src="Magnetic-II_files/image068.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
2041
2042<p class=MsoNormal>You’ll see that both <span class=SpellE><b style='mso-bidi-font-weight:
2043normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2044minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span>
2045and <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2046style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2047mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My</span></b>
2048are</span> allowed; there is no easy clue from the diffraction data where the
2049moment lies so we’ll just have to try something. A useful thing to do is to try
2050individually <span class=SpellE>Mx</span>=1 &amp; <span class=GramE>My=</span>0
2051and vice versa each time drawing the unit cell contents. Select the <b
2052style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2053mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2054minor-latin'>Atoms</span></b> tab for the magnetic structure and change <span
2055class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2056"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2057minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><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'>=1</span></b>, <span class=GramE><b style='mso-bidi-font-weight:
2061normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2062minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
2063style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2064mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2065minor-latin'>0</span></b>. Then select the <b style='mso-bidi-font-weight:normal'><span
2066style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2067mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
2068tab</p>
2069
2070<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2071 id="Picture_x0020_20" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:363pt;
2072 height:74.25pt;visibility:visible;mso-wrap-style:square'>
2073 <v:imagedata src="Magnetic-II_files/image047.png" o:title=""/>
2074</v:shape><![endif]--><![if !vml]><img border=0 width=484 height=99
2075src="Magnetic-II_files/image070.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
2076
2077<p class=MsoNormal>Select the one atom and do <span class=GramE><b
2078style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2079mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2080minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
2081style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2082mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> Figure/Fill
2083unit cell</span></b>; the table will list 10 atom positions and the drawing
2084will show</p>
2085
2086<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2087 id="Picture_x0020_21" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:5in;
2088 height:368.25pt;visibility:visible;mso-wrap-style:square'>
2089 <v:imagedata src="Magnetic-II_files/image049.png" o:title=""/>
2090</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
2091src="Magnetic-II_files/image072.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
2092
2093<p class=MsoNormal>This is an antiferromagnetic structure. Now select the Atoms
2094tab and change <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2095style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2096mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2097style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2098mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2099minor-latin'>=0</span></b>, <span class=GramE><b style='mso-bidi-font-weight:
2100normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2101minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
2102style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2103mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2104minor-latin'>1</span></b>; the drawing will update the moments</p>
2105
2106<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2107 id="Picture_x0020_22" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:5in;
2108 height:368.25pt;visibility:visible;mso-wrap-style:square'>
2109 <v:imagedata src="Magnetic-II_files/image051.png" o:title=""/>
2110</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=491
2111src="Magnetic-II_files/image074.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
2112
2113<p class=MsoNormal><span class=GramE>which</span> is now a ferromagnetic
2114structure. Clearly, this is not correct since we know the material is an
2115antiferromagnet. Therefore, in <span class=SpellE>Pn’nm</span>’ My=0 and <span
2116class=SpellE>Mx</span> &gt; 0. So we should try refining <span class=SpellE>Mx</span>
2117with <span class=GramE>My</span> fixed. Change <span class=SpellE><b
2118style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2119mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2120minor-latin'>Mx</span></b></span><b style='mso-bidi-font-weight:normal'><span
2121style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2122mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>=1</span></b>
2123and <span class=GramE><b style='mso-bidi-font-weight:normal'><span
2124style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2125mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
2126style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2127mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2128minor-latin'>0</span></b> and select the <b style='mso-bidi-font-weight:normal'><span
2129style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2130mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>M</span></b>
2131refine flag. Then go to the <b style='mso-bidi-font-weight:normal'><span
2132style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2133mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
2134entry<br>
2135<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_42"
2136 o:spid="_x0000_i1038" type="#_x0000_t75" style='width:361.5pt;height:196.5pt;
2137 visibility:visible;mso-wrap-style:square'>
2138 <v:imagedata src="Magnetic-II_files/image048.png" o:title=""/>
2139</v:shape><![endif]--><![if !vml]><img border=0 width=482 height=262
2140src="Magnetic-II_files/image076.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
2141
2142<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2143style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2144mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit Constr<span
2145class=GramE>./</span>Add hold</span></b> for <b style='mso-bidi-font-weight:
2146normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2147minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>1::Amy:0</span></b>.
2148Now do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2149mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2150minor-latin'>Calculate/Refine</span></b>. The residual is quite poor wR~39%)
2151and <span class=SpellE>Mx</span> did not change much. Even after including
2152refinement of the rather large sample displacements (recall the 150K
2153refinement) <span class=SpellE>wR</span> ~ 28%. Perhaps this isn’t the correct
2154structure, so let’s look for another. <b style='mso-bidi-font-weight:normal'><span
2155style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2156mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Save</span></b>
2157the project (it still might be useful).</p>
2158
2159<h2>Step 7. Select 2nd magnetic structure</h2>
2160
2161<p class=MsoNormal>To continue the selection process, we need to use the saved
2162project used for the first selection because it contains the table of possible
2163magnetic space groups generated by k-SUBGROUPSMAG. Do <b style='mso-bidi-font-weight:
2164normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2165minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open
2166project</span></b> from the main menu and select <b style='mso-bidi-font-weight:
2167normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2168minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6.gpx</span></b>;
2169you’ll see a reminder to save the old project (we just did this) and select the
2170<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2171mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2172minor-latin'>Cr2WO6</span></b> phase (should be the only one); the General tab
2173will be shown</p>
2174
2175<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2176 id="Picture_x0020_24" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:358.5pt;
2177 height:189.75pt;visibility:visible;mso-wrap-style:square'>
2178 <v:imagedata src="Magnetic-II_files/image055.png" o:title=""/>
2179</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=253
2180src="Magnetic-II_files/image083.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
2181
2182<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
2183style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2184mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Select
2185magnetic phase</span></b> from the menu; the popup should look like</p>
2186
2187<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2188 id="Picture_x0020_46" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:195pt;
2189 height:200.25pt;visibility:visible;mso-wrap-style:square'>
2190 <v:imagedata src="Magnetic-II_files/image065.png" o:title=""/>
2191</v:shape><![endif]--><![if !vml]><img border=0 width=260 height=267
2192src="Magnetic-II_files/image065.png" v:shapes="Picture_x0020_46"><![endif]></span></p>
2193
2194<p class=MsoNormal>We have already tried #40 (<span class=SpellE>Pn’nm</span>’),
2195so let’s try <b style='mso-bidi-font-weight:normal'><span style='font-family:
2196"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2197minor-latin;mso-bidi-theme-font:minor-latin'>(43) <span class=SpellE>Pnn’m</span></span></b>
2198next. Select it and press <b style='mso-bidi-font-weight:normal'><span
2199style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2200mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
2201a popup will appear</p>
2202
2203<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2204 id="Picture_x0020_26" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:264.75pt;
2205 height:92.25pt;visibility:visible;mso-wrap-style:square'>
2206 <v:imagedata src="Magnetic-II_files/image058.png" o:title=""/>
2207</v:shape><![endif]--><![if !vml]><img border=0 width=353 height=123
2208src="Magnetic-II_files/image058.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
2209
2210<p class=MsoNormal>This is similar to #40; one magnetic Cr atom with allowed <span
2211class=SpellE>Mx</span> &amp; My moment components. Press <b style='mso-bidi-font-weight:
2212normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2213minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b>.
2214The project will be saved and a new project <b style='mso-bidi-font-weight:
2215normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2216minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cr2WO6
2217mag_43.gpx</span></b> will be created. The General tab for this new phase will
2218be shown</p>
2219
2220<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2221 id="Picture_x0020_27" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:360.75pt;
2222 height:192.75pt;visibility:visible;mso-wrap-style:square'>
2223 <v:imagedata src="Magnetic-II_files/image059.png" o:title=""/>
2224</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=257
2225src="Magnetic-II_files/image085.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
2226
2227<p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
2228style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2229mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2230tab</p>
2231
2232<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2233 id="Picture_x0020_28" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:360.75pt;
2234 height:1in;visibility:visible;mso-wrap-style:square'>
2235 <v:imagedata src="Magnetic-II_files/image069.png" o:title=""/>
2236</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=96
2237src="Magnetic-II_files/image087.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
2238
2239<p class=MsoNormal>Again <span class=SpellE>Mx</span> &amp; <span class=GramE>My
2240are</span> allowed moments but we don’t know what their values are. We can try
2241drawing each; set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2242style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2243mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2244style='mso-bidi-font-weight:normal'><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'>=1</span></b> &amp; <span class=GramE><b style='mso-bidi-font-weight:
2247normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2248minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
2249style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2250mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2251minor-latin'>0</span></b>. Select the <b style='mso-bidi-font-weight:normal'><span
2252style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2253mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Ato</span></b>ms
2254tab, select the Cr atom and do <b style='mso-bidi-font-weight:normal'><span
2255style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2256mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit
2257Atoms/Fill unit cell</span></b>; the drawing will show</p>
2258
2259<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2260 id="Picture_x0020_29" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:362.25pt;
2261 height:370.5pt;visibility:visible;mso-wrap-style:square'>
2262 <v:imagedata src="Magnetic-II_files/image071.png" o:title=""/>
2263</v:shape><![endif]--><![if !vml]><img border=0 width=483 height=494
2264src="Magnetic-II_files/image088.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
2265
2266<p class=MsoNormal><span class=GramE>which</span> is an antiferromagnetic
2267structure. Now try <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2268style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2269mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2270style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2271mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2272minor-latin'>=0</span></b> and <span class=GramE><b style='mso-bidi-font-weight:
2273normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2274minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
2275style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2276mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2277minor-latin'>1</span></b>; the structure will show</p>
2278
2279<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2280 id="Picture_x0020_30" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:360.75pt;
2281 height:369.75pt;visibility:visible;mso-wrap-style:square'>
2282 <v:imagedata src="Magnetic-II_files/image073.png" o:title=""/>
2283</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=493
2284src="Magnetic-II_files/image089.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
2285
2286<p class=MsoNormal><span class=GramE>which</span> is yet another
2287antiferromagnetic structure. We can try each one or just set <span
2288class=SpellE>Mx</span>=1 and <span class=GramE>My=</span>1 and refine both to
2289see where it goes. Set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2290style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2291mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2292style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2293mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2294minor-latin'>=1</span></b>, <span class=GramE><b style='mso-bidi-font-weight:
2295normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2296minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>My=</span></b></span><b
2297style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2298mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2299minor-latin'>1</span></b> and clear any refinement flags in both phases (see <b
2300style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2301mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2302minor-latin'>General</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
2303style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2304mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
2305for both phases). Do <b style='mso-bidi-font-weight:normal'><span
2306style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2307mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
2308from the main menu; <span class=SpellE>wR</span> is ~39%. Next, set the <b
2309style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2310mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2311minor-latin'>M</span></b> refinement flag for the magnetic Cr atom and repeat <b
2312style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2313mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2314minor-latin'>Calculate/Refine</span></b>; <span class=SpellE>wR</span> drops to
2315~37%. Most importantly, <span class=SpellE>Mx</span> is close to zero and <span
2316class=GramE>My</span> ~2.3. Add the sample displacement parameters (set radius
2317to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2318mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2319minor-latin'>1000</span></b>) and refine again. <span class=SpellE><span
2320class=GramE>wR</span></span> drops to ~ 23% which is much better than a similar
2321refinement for #40 (~ 28%). </p>
2322
2323<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2324 id="Picture_x0020_31" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:358.5pt;
2325 height:366.75pt;visibility:visible;mso-wrap-style:square'>
2326 <v:imagedata src="Magnetic-II_files/image075.png" o:title=""/>
2327</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=489
2328src="Magnetic-II_files/image090.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
2329
2330<p class=MsoNormal>Moreover, the 001 magnetic reflection has considerable
2331calculated intensity; the overall fit is pretty good (except for perhaps
2332lattice parameters). Next we will complete the refinement using this solution.</p>
2333
2334<h3>Step 8. Complete refinement of structure #43 (<span class=SpellE>Pnn’m</span>)
2335for Cr<sub>2</sub>WO<sub>6</sub></h3>
2336
2337<p class=MsoNormal>From what we noticed about the initial refinement for this
2338solution, <span class=SpellE>Mx</span>=0 and needs to be held there. So select
2339the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2340mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2341minor-latin'>Atoms</span></b> tab for the magnetic phase</p>
2342
2343<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2344 id="Picture_x0020_32" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:5in;
2345 height:70.5pt;visibility:visible;mso-wrap-style:square'>
2346 <v:imagedata src="Magnetic-II_files/image081.png" o:title=""/>
2347</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=94
2348src="Magnetic-II_files/image092.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
2349
2350<p class=MsoNormal>Set <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2351style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2352mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Mx</span></b></span><b
2353style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2354mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2355minor-latin'>=0</span></b>. Next, select the <b style='mso-bidi-font-weight:
2356normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2357minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
2358tab for each phase and check the <b style='mso-bidi-font-weight:normal'><span
2359style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2360mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine unit
2361cell</span></b> box for each. Next, we have to set the hold on <span
2362class=SpellE>Mx</span>; select <b style='mso-bidi-font-weight:normal'><span
2363style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2364mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b></p>
2365
2366<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2367 id="_x0000_i1028" type="#_x0000_t75" style='width:359.25pt;height:152.25pt;
2368 visibility:visible;mso-wrap-style:square'>
2369 <v:imagedata src="Magnetic-II_files/image094.png" o:title=""/>
2370</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=203
2371src="Magnetic-II_files/image096.png" v:shapes="_x0000_i1028"><![endif]></span></p>
2372
2373<p class=MsoNormal>Notice the two constraints which ties the two normally
2374inequivalent orthorhombic metric tensor elements to a single tetragonal one.
2375Now finally add the hold on <span class=SpellE>Mx</span>; Do <b
2376style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2377mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2378minor-latin'>Edit Constr<span class=GramE>./</span>Add hold</span></b>; select <b
2379style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2380mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2381minor-latin'>1::AMx:0</span></b>. The constraints should look like</p>
2382
2383<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2384 id="Picture_x0020_41" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:358.5pt;
2385 height:152.25pt;visibility:visible;mso-wrap-style:square'>
2386 <v:imagedata src="Magnetic-II_files/image097.png" o:title=""/>
2387</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=203
2388src="Magnetic-II_files/image098.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
2389
2390<p class=MsoNormal>Now do <b style='mso-bidi-font-weight:normal'><span
2391style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2392mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>;
2393the residual immediately drops to 12.2%. Finally, add refinement of atom
2394positions and <span class=SpellE>Uisos</span> to both phases and repeat <b
2395style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2396mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2397minor-latin'>Calculate/Refine</span></b>. My residual is 11.75% and the plot
2398shows a nice fit for this magnetic structure</p>
2399
2400<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2401 id="Picture_x0020_39" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:358.5pt;
2402 height:369pt;visibility:visible;mso-wrap-style:square'>
2403 <v:imagedata src="Magnetic-II_files/image093.png" o:title=""/>
2404</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=492
2405src="Magnetic-II_files/image099.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
2406
2407<p class=MsoNormal>The remaining misfits are from some contaminating phase(s)
2408because they are not indexed by either the chemical or magnetic phases. A bit
2409more improvement can be made by using 6 background terms and including the <b
2410style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2411mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2412minor-latin'>U</span></b>, <b style='mso-bidi-font-weight:normal'><span
2413style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2414mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>V</span></b>,
2415<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2416mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2417minor-latin'>W</span></b> and <b style='mso-bidi-font-weight:normal'><span
2418style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2419mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SH/L</span></b>
2420instrument parameter coefficients. My <span class=SpellE>wR</span> was ~11%.
2421The magnetic structure is</p>
2422
2423<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2424 id="Picture_x0020_40" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:5in;
2425 height:370.5pt;visibility:visible;mso-wrap-style:square'>
2426 <v:imagedata src="Magnetic-II_files/image095.png" o:title=""/>
2427</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=494
2428src="Magnetic-II_files/image100.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
2429
2430<p class=MsoNormal>The Cr magnetic moment (m<sub>y</sub>) = 2.35(2) shown in <b
2431style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2432mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2433minor-latin'>Cr2WO6 mag_43.lst</span></b>. Notice that the chemical space group
2434is tetragonal; although the effect is very small, the magnetic ordering will
2435reduce the chemical cell symmetry to match the magnetic symmetry. The analysis
2436presented here gives the proper subgroup needed for this description, <span
2437class=SpellE>Pnnm</span>, along with the transformation (<span class=SpellE>a<span
2438class=GramE>,b,c</span></span>)+0,0,0. This concludes this tutorial; you may
2439wish to save the project.</p>
2440
2441</div>
2442
2443</body>
2444
2445</html>
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