source: Tutorials/StackingFaults-I/Stacking Faults-I.htm @ 2251

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409  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
410  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
411  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
412  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
413  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
414  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
415  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
416  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
417  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
418  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
419  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
420  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
421  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
422  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
423  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
424  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
425  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
426  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
427  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
428  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
429  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
430  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
431  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
432  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
433  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
434  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
435  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
436  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
437  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
438  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
439  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
440  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
441  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
442  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
443  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
444  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
445  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
446  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
447  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
448  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
449  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
450  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
451  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
452  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
453  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
454  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
455  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
456  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
457  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
458  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
459  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
460  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
461  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
462  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
463  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
464  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
465  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
466  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
467  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
468  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
469  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
470  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
471  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
472  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
473  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
474  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
475  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
476  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
477  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
478  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
479  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
480  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
481  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
482  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
483  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
484  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
485  <w:LsdException Locked="false" Priority="19" QFormat="true"
486   Name="Subtle Emphasis"/>
487  <w:LsdException Locked="false" Priority="21" QFormat="true"
488   Name="Intense Emphasis"/>
489  <w:LsdException Locked="false" Priority="31" QFormat="true"
490   Name="Subtle Reference"/>
491  <w:LsdException Locked="false" Priority="32" QFormat="true"
492   Name="Intense Reference"/>
493  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
494  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
495   UnhideWhenUsed="true" Name="Bibliography"/>
496  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
497   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
498  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
499  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
500  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
501  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
502  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
503  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
504  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
505  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
506  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
507  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
508  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
509  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
510  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
511  <w:LsdException Locked="false" Priority="46"
512   Name="Grid Table 1 Light Accent 1"/>
513  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
514  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
515  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
516  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
517  <w:LsdException Locked="false" Priority="51"
518   Name="Grid Table 6 Colorful Accent 1"/>
519  <w:LsdException Locked="false" Priority="52"
520   Name="Grid Table 7 Colorful Accent 1"/>
521  <w:LsdException Locked="false" Priority="46"
522   Name="Grid Table 1 Light Accent 2"/>
523  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
524  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
525  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
526  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
527  <w:LsdException Locked="false" Priority="51"
528   Name="Grid Table 6 Colorful Accent 2"/>
529  <w:LsdException Locked="false" Priority="52"
530   Name="Grid Table 7 Colorful Accent 2"/>
531  <w:LsdException Locked="false" Priority="46"
532   Name="Grid Table 1 Light Accent 3"/>
533  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
534  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
535  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
536  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
537  <w:LsdException Locked="false" Priority="51"
538   Name="Grid Table 6 Colorful Accent 3"/>
539  <w:LsdException Locked="false" Priority="52"
540   Name="Grid Table 7 Colorful Accent 3"/>
541  <w:LsdException Locked="false" Priority="46"
542   Name="Grid Table 1 Light Accent 4"/>
543  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
544  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
545  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
546  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
547  <w:LsdException Locked="false" Priority="51"
548   Name="Grid Table 6 Colorful Accent 4"/>
549  <w:LsdException Locked="false" Priority="52"
550   Name="Grid Table 7 Colorful Accent 4"/>
551  <w:LsdException Locked="false" Priority="46"
552   Name="Grid Table 1 Light Accent 5"/>
553  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
554  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
555  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
556  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
557  <w:LsdException Locked="false" Priority="51"
558   Name="Grid Table 6 Colorful Accent 5"/>
559  <w:LsdException Locked="false" Priority="52"
560   Name="Grid Table 7 Colorful Accent 5"/>
561  <w:LsdException Locked="false" Priority="46"
562   Name="Grid Table 1 Light Accent 6"/>
563  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
564  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
565  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
566  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
567  <w:LsdException Locked="false" Priority="51"
568   Name="Grid Table 6 Colorful Accent 6"/>
569  <w:LsdException Locked="false" Priority="52"
570   Name="Grid Table 7 Colorful Accent 6"/>
571  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
572  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
573  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
574  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
575  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
576  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
577  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
578  <w:LsdException Locked="false" Priority="46"
579   Name="List Table 1 Light Accent 1"/>
580  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
581  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
582  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
583  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
584  <w:LsdException Locked="false" Priority="51"
585   Name="List Table 6 Colorful Accent 1"/>
586  <w:LsdException Locked="false" Priority="52"
587   Name="List Table 7 Colorful Accent 1"/>
588  <w:LsdException Locked="false" Priority="46"
589   Name="List Table 1 Light Accent 2"/>
590  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
591  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
592  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
593  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
594  <w:LsdException Locked="false" Priority="51"
595   Name="List Table 6 Colorful Accent 2"/>
596  <w:LsdException Locked="false" Priority="52"
597   Name="List Table 7 Colorful Accent 2"/>
598  <w:LsdException Locked="false" Priority="46"
599   Name="List Table 1 Light Accent 3"/>
600  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
601  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
602  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
603  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
604  <w:LsdException Locked="false" Priority="51"
605   Name="List Table 6 Colorful Accent 3"/>
606  <w:LsdException Locked="false" Priority="52"
607   Name="List Table 7 Colorful Accent 3"/>
608  <w:LsdException Locked="false" Priority="46"
609   Name="List Table 1 Light Accent 4"/>
610  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
611  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
612  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
613  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
614  <w:LsdException Locked="false" Priority="51"
615   Name="List Table 6 Colorful Accent 4"/>
616  <w:LsdException Locked="false" Priority="52"
617   Name="List Table 7 Colorful Accent 4"/>
618  <w:LsdException Locked="false" Priority="46"
619   Name="List Table 1 Light Accent 5"/>
620  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
621  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
622  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
623  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
624  <w:LsdException Locked="false" Priority="51"
625   Name="List Table 6 Colorful Accent 5"/>
626  <w:LsdException Locked="false" Priority="52"
627   Name="List Table 7 Colorful Accent 5"/>
628  <w:LsdException Locked="false" Priority="46"
629   Name="List Table 1 Light Accent 6"/>
630  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
631  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
632  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
633  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
634  <w:LsdException Locked="false" Priority="51"
635   Name="List Table 6 Colorful Accent 6"/>
636  <w:LsdException Locked="false" Priority="52"
637   Name="List Table 7 Colorful Accent 6"/>
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787        font-size:12.0pt;
788        font-family:"Times New Roman",serif;
789        mso-fareast-font-family:"Times New Roman";
790        mso-fareast-theme-font:minor-fareast;}
791a:link, span.MsoHyperlink
792        {mso-style-noshow:yes;
793        mso-style-priority:99;
794        color:blue;
795        text-decoration:underline;
796        text-underline:single;}
797a:visited, span.MsoHyperlinkFollowed
798        {mso-style-noshow:yes;
799        mso-style-priority:99;
800        color:purple;
801        text-decoration:underline;
802        text-underline:single;}
803p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
804        {mso-style-noshow:yes;
805        mso-style-priority:99;
806        mso-style-link:"Document Map Char";
807        margin:0in;
808        margin-bottom:.0001pt;
809        mso-pagination:widow-orphan;
810        font-size:8.0pt;
811        font-family:"Tahoma",sans-serif;
812        mso-fareast-font-family:"Times New Roman";
813        mso-fareast-theme-font:minor-fareast;}
814p
815        {mso-style-noshow:yes;
816        mso-style-priority:99;
817        mso-margin-top-alt:auto;
818        margin-right:0in;
819        mso-margin-bottom-alt:auto;
820        margin-left:0in;
821        mso-pagination:widow-orphan;
822        font-size:12.0pt;
823        font-family:"Times New Roman",serif;
824        mso-fareast-font-family:"Times New Roman";
825        mso-fareast-theme-font:minor-fareast;}
826pre
827        {mso-style-noshow:yes;
828        mso-style-priority:99;
829        mso-style-link:"HTML Preformatted Char";
830        margin:0in;
831        margin-bottom:.0001pt;
832        mso-pagination:widow-orphan;
833        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
834        font-size:10.0pt;
835        font-family:"Courier New";
836        mso-fareast-font-family:"Times New Roman";}
837p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
838        {mso-style-noshow:yes;
839        mso-style-priority:99;
840        mso-style-link:"Balloon Text Char";
841        margin:0in;
842        margin-bottom:.0001pt;
843        mso-pagination:widow-orphan;
844        font-size:8.0pt;
845        font-family:"Tahoma",sans-serif;
846        mso-fareast-font-family:"Times New Roman";
847        mso-fareast-theme-font:minor-fareast;}
848span.MsoPlaceholderText
849        {mso-style-noshow:yes;
850        mso-style-priority:99;
851        mso-style-unhide:no;
852        color:gray;}
853p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
854        {mso-style-noshow:yes;
855        mso-style-priority:1;
856        mso-style-unhide:no;
857        mso-style-qformat:yes;
858        mso-style-parent:"";
859        margin:0in;
860        margin-bottom:.0001pt;
861        mso-pagination:widow-orphan;
862        font-size:12.0pt;
863        font-family:"Times New Roman",serif;
864        mso-fareast-font-family:"Times New Roman";
865        mso-fareast-theme-font:minor-fareast;}
866p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
867        {mso-style-noshow:yes;
868        mso-style-priority:34;
869        mso-style-unhide:no;
870        mso-style-qformat:yes;
871        margin-top:0in;
872        margin-right:0in;
873        margin-bottom:0in;
874        margin-left:.5in;
875        margin-bottom:.0001pt;
876        mso-add-space:auto;
877        mso-pagination:widow-orphan;
878        font-size:12.0pt;
879        font-family:"Times New Roman",serif;
880        mso-fareast-font-family:"Times New Roman";
881        mso-fareast-theme-font:minor-fareast;}
882p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
883        {mso-style-noshow:yes;
884        mso-style-priority:34;
885        mso-style-unhide:no;
886        mso-style-qformat:yes;
887        mso-style-type:export-only;
888        margin-top:0in;
889        margin-right:0in;
890        margin-bottom:0in;
891        margin-left:.5in;
892        margin-bottom:.0001pt;
893        mso-add-space:auto;
894        mso-pagination:widow-orphan;
895        font-size:12.0pt;
896        font-family:"Times New Roman",serif;
897        mso-fareast-font-family:"Times New Roman";
898        mso-fareast-theme-font:minor-fareast;}
899p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
900        {mso-style-noshow:yes;
901        mso-style-priority:34;
902        mso-style-unhide:no;
903        mso-style-qformat:yes;
904        mso-style-type:export-only;
905        margin-top:0in;
906        margin-right:0in;
907        margin-bottom:0in;
908        margin-left:.5in;
909        margin-bottom:.0001pt;
910        mso-add-space:auto;
911        mso-pagination:widow-orphan;
912        font-size:12.0pt;
913        font-family:"Times New Roman",serif;
914        mso-fareast-font-family:"Times New Roman";
915        mso-fareast-theme-font:minor-fareast;}
916p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
917        {mso-style-noshow:yes;
918        mso-style-priority:34;
919        mso-style-unhide:no;
920        mso-style-qformat:yes;
921        mso-style-type:export-only;
922        margin-top:0in;
923        margin-right:0in;
924        margin-bottom:0in;
925        margin-left:.5in;
926        margin-bottom:.0001pt;
927        mso-add-space:auto;
928        mso-pagination:widow-orphan;
929        font-size:12.0pt;
930        font-family:"Times New Roman",serif;
931        mso-fareast-font-family:"Times New Roman";
932        mso-fareast-theme-font:minor-fareast;}
933span.MsoIntenseReference
934        {mso-style-priority:32;
935        mso-style-unhide:no;
936        mso-style-qformat:yes;
937        font-variant:small-caps;
938        color:#C0504D;
939        mso-themecolor:accent2;
940        letter-spacing:.25pt;
941        font-weight:bold;
942        text-decoration:underline;
943        text-underline:single;}
944span.Heading1Char
945        {mso-style-name:"Heading 1 Char";
946        mso-style-priority:9;
947        mso-style-unhide:no;
948        mso-style-locked:yes;
949        mso-style-link:"Heading 1";
950        mso-ansi-font-size:24.0pt;
951        mso-bidi-font-size:24.0pt;
952        font-family:"Times New Roman",serif;
953        mso-ascii-font-family:"Times New Roman";
954        mso-fareast-font-family:"Times New Roman";
955        mso-fareast-theme-font:minor-fareast;
956        mso-hansi-font-family:"Times New Roman";
957        mso-bidi-font-family:"Times New Roman";
958        mso-font-kerning:18.0pt;
959        font-weight:bold;}
960span.Heading2Char
961        {mso-style-name:"Heading 2 Char";
962        mso-style-noshow:yes;
963        mso-style-priority:9;
964        mso-style-unhide:no;
965        mso-style-locked:yes;
966        mso-style-link:"Heading 2";
967        mso-ansi-font-size:18.0pt;
968        mso-bidi-font-size:18.0pt;
969        font-family:"Times New Roman",serif;
970        mso-ascii-font-family:"Times New Roman";
971        mso-fareast-font-family:"Times New Roman";
972        mso-fareast-theme-font:minor-fareast;
973        mso-hansi-font-family:"Times New Roman";
974        mso-bidi-font-family:"Times New Roman";
975        font-weight:bold;}
976span.Heading3Char
977        {mso-style-name:"Heading 3 Char";
978        mso-style-noshow:yes;
979        mso-style-priority:9;
980        mso-style-unhide:no;
981        mso-style-locked:yes;
982        mso-style-link:"Heading 3";
983        mso-ansi-font-size:13.5pt;
984        mso-bidi-font-size:13.5pt;
985        font-family:"Times New Roman",serif;
986        mso-ascii-font-family:"Times New Roman";
987        mso-fareast-font-family:"Times New Roman";
988        mso-fareast-theme-font:minor-fareast;
989        mso-hansi-font-family:"Times New Roman";
990        mso-bidi-font-family:"Times New Roman";
991        font-weight:bold;}
992span.Heading4Char
993        {mso-style-name:"Heading 4 Char";
994        mso-style-noshow:yes;
995        mso-style-priority:9;
996        mso-style-unhide:no;
997        mso-style-locked:yes;
998        mso-style-link:"Heading 4";
999        mso-ansi-font-size:13.0pt;
1000        mso-bidi-font-size:13.0pt;
1001        font-family:"Cambria",serif;
1002        mso-ascii-font-family:Cambria;
1003        mso-ascii-theme-font:major-latin;
1004        mso-fareast-font-family:"Times New Roman";
1005        mso-fareast-theme-font:major-fareast;
1006        mso-hansi-font-family:Cambria;
1007        mso-hansi-theme-font:major-latin;
1008        mso-bidi-font-family:"Times New Roman";
1009        mso-bidi-theme-font:major-bidi;
1010        color:#4F81BD;
1011        mso-themecolor:accent1;
1012        font-weight:bold;
1013        font-style:italic;}
1014span.Heading5Char
1015        {mso-style-name:"Heading 5 Char";
1016        mso-style-noshow:yes;
1017        mso-style-priority:9;
1018        mso-style-unhide:no;
1019        mso-style-locked:yes;
1020        mso-style-link:"Heading 5";
1021        mso-ansi-font-size:12.0pt;
1022        mso-bidi-font-size:12.0pt;
1023        font-family:"Times New Roman",serif;
1024        mso-ascii-font-family:"Times New Roman";
1025        mso-fareast-font-family:"Times New Roman";
1026        mso-fareast-theme-font:minor-fareast;
1027        mso-hansi-font-family:"Times New Roman";
1028        mso-bidi-font-family:"Times New Roman";
1029        color:#4F4FFF;
1030        font-weight:bold;}
1031span.HTMLPreformattedChar
1032        {mso-style-name:"HTML Preformatted Char";
1033        mso-style-noshow:yes;
1034        mso-style-priority:99;
1035        mso-style-unhide:no;
1036        mso-style-locked:yes;
1037        mso-style-link:"HTML Preformatted";
1038        mso-ansi-font-size:10.0pt;
1039        mso-bidi-font-size:10.0pt;
1040        font-family:"Courier New";
1041        mso-ascii-font-family:"Courier New";
1042        mso-fareast-font-family:"Times New Roman";
1043        mso-hansi-font-family:"Courier New";
1044        mso-bidi-font-family:"Courier New";}
1045span.HeaderChar
1046        {mso-style-name:"Header Char";
1047        mso-style-priority:99;
1048        mso-style-unhide:no;
1049        mso-style-locked:yes;
1050        mso-style-link:Header;
1051        mso-ansi-font-size:12.0pt;
1052        mso-bidi-font-size:12.0pt;
1053        font-family:"Times New Roman",serif;
1054        mso-ascii-font-family:"Times New Roman";
1055        mso-fareast-font-family:"Times New Roman";
1056        mso-fareast-theme-font:minor-fareast;
1057        mso-hansi-font-family:"Times New Roman";
1058        mso-bidi-font-family:"Times New Roman";}
1059span.FooterChar
1060        {mso-style-name:"Footer Char";
1061        mso-style-priority:99;
1062        mso-style-unhide:no;
1063        mso-style-locked:yes;
1064        mso-style-link:Footer;
1065        mso-ansi-font-size:12.0pt;
1066        mso-bidi-font-size:12.0pt;
1067        font-family:"Times New Roman",serif;
1068        mso-ascii-font-family:"Times New Roman";
1069        mso-fareast-font-family:"Times New Roman";
1070        mso-fareast-theme-font:minor-fareast;
1071        mso-hansi-font-family:"Times New Roman";
1072        mso-bidi-font-family:"Times New Roman";}
1073span.DocumentMapChar
1074        {mso-style-name:"Document Map Char";
1075        mso-style-noshow:yes;
1076        mso-style-priority:99;
1077        mso-style-unhide:no;
1078        mso-style-locked:yes;
1079        mso-style-link:"Document Map";
1080        mso-ansi-font-size:8.0pt;
1081        mso-bidi-font-size:8.0pt;
1082        font-family:"Tahoma",sans-serif;
1083        mso-ascii-font-family:Tahoma;
1084        mso-fareast-font-family:"Times New Roman";
1085        mso-fareast-theme-font:minor-fareast;
1086        mso-hansi-font-family:Tahoma;
1087        mso-bidi-font-family:Tahoma;}
1088span.BalloonTextChar
1089        {mso-style-name:"Balloon Text Char";
1090        mso-style-noshow:yes;
1091        mso-style-priority:99;
1092        mso-style-unhide:no;
1093        mso-style-locked:yes;
1094        mso-style-link:"Balloon Text";
1095        mso-ansi-font-size:8.0pt;
1096        mso-bidi-font-size:8.0pt;
1097        font-family:"Tahoma",sans-serif;
1098        mso-ascii-font-family:Tahoma;
1099        mso-fareast-font-family:"Times New Roman";
1100        mso-fareast-theme-font:minor-fareast;
1101        mso-hansi-font-family:Tahoma;
1102        mso-bidi-font-family:Tahoma;}
1103span.GSAS-IItextChar
1104        {mso-style-name:"GSAS-II text Char";
1105        mso-style-unhide:no;
1106        mso-style-locked:yes;
1107        mso-style-link:"GSAS-II text";
1108        mso-ansi-font-size:12.0pt;
1109        mso-bidi-font-size:12.0pt;
1110        font-family:"Times New Roman",serif;
1111        mso-ascii-font-family:"Times New Roman";
1112        mso-fareast-font-family:"Times New Roman";
1113        mso-fareast-theme-font:minor-fareast;
1114        mso-hansi-font-family:"Times New Roman";
1115        mso-bidi-font-family:Calibri;
1116        mso-bidi-theme-font:minor-latin;
1117        font-weight:bold;
1118        mso-bidi-font-weight:normal;}
1119p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1120        {mso-style-name:"GSAS-II text";
1121        mso-style-noshow:yes;
1122        mso-style-priority:99;
1123        mso-style-unhide:no;
1124        mso-style-link:"GSAS-II text Char";
1125        margin:0in;
1126        margin-bottom:.0001pt;
1127        mso-pagination:widow-orphan;
1128        font-size:12.0pt;
1129        font-family:"Calibri",sans-serif;
1130        mso-ascii-font-family:Calibri;
1131        mso-ascii-theme-font:minor-latin;
1132        mso-fareast-font-family:"Times New Roman";
1133        mso-fareast-theme-font:minor-fareast;
1134        mso-hansi-font-family:Calibri;
1135        mso-hansi-theme-font:minor-latin;
1136        mso-bidi-font-family:Calibri;
1137        mso-bidi-theme-font:minor-latin;
1138        font-weight:bold;
1139        mso-bidi-font-weight:normal;}
1140.MsoChpDefault
1141        {mso-style-type:export-only;
1142        mso-default-props:yes;
1143        font-size:10.0pt;
1144        mso-ansi-font-size:10.0pt;
1145        mso-bidi-font-size:10.0pt;
1146        font-family:"Calibri",sans-serif;
1147        mso-ascii-font-family:Calibri;
1148        mso-ascii-theme-font:minor-latin;
1149        mso-fareast-font-family:Calibri;
1150        mso-fareast-theme-font:minor-latin;
1151        mso-hansi-font-family:Calibri;
1152        mso-hansi-theme-font:minor-latin;
1153        mso-bidi-font-family:"Times New Roman";
1154        mso-bidi-theme-font:minor-bidi;}
1155 /* Page Definitions */
1156 @page
1157        {mso-footnote-separator:url("Stacking%20Faults-I_files/header.htm") fs;
1158        mso-footnote-continuation-separator:url("Stacking%20Faults-I_files/header.htm") fcs;
1159        mso-endnote-separator:url("Stacking%20Faults-I_files/header.htm") es;
1160        mso-endnote-continuation-separator:url("Stacking%20Faults-I_files/header.htm") ecs;}
1161@page WordSection1
1162        {size:8.5in 11.0in;
1163        margin:1.0in 1.0in 1.0in 1.0in;
1164        mso-header-margin:.5in;
1165        mso-footer-margin:.5in;
1166        mso-even-header:url("Stacking%20Faults-I_files/header.htm") eh1;
1167        mso-header:url("Stacking%20Faults-I_files/header.htm") h1;
1168        mso-even-footer:url("Stacking%20Faults-I_files/header.htm") ef1;
1169        mso-footer:url("Stacking%20Faults-I_files/header.htm") f1;
1170        mso-first-header:url("Stacking%20Faults-I_files/header.htm") fh1;
1171        mso-first-footer:url("Stacking%20Faults-I_files/header.htm") ff1;
1172        mso-paper-source:0;}
1173div.WordSection1
1174        {page:WordSection1;}
1175-->
1176</style>
1177<!--[if gte mso 10]>
1178<style>
1179 /* Style Definitions */
1180 table.MsoNormalTable
1181        {mso-style-name:"Table Normal";
1182        mso-tstyle-rowband-size:0;
1183        mso-tstyle-colband-size:0;
1184        mso-style-noshow:yes;
1185        mso-style-priority:99;
1186        mso-style-parent:"";
1187        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1188        mso-para-margin:0in;
1189        mso-para-margin-bottom:.0001pt;
1190        mso-pagination:widow-orphan;
1191        font-size:10.0pt;
1192        font-family:"Calibri",sans-serif;
1193        mso-ascii-font-family:Calibri;
1194        mso-ascii-theme-font:minor-latin;
1195        mso-hansi-font-family:Calibri;
1196        mso-hansi-theme-font:minor-latin;}
1197table.MsoTableGrid
1198        {mso-style-name:"Table Grid";
1199        mso-tstyle-rowband-size:0;
1200        mso-tstyle-colband-size:0;
1201        mso-style-priority:59;
1202        mso-style-unhide:no;
1203        border:solid windowtext 1.0pt;
1204        mso-border-alt:solid windowtext .5pt;
1205        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1206        mso-border-insideh:.5pt solid windowtext;
1207        mso-border-insidev:.5pt solid windowtext;
1208        mso-para-margin:0in;
1209        mso-para-margin-bottom:.0001pt;
1210        mso-pagination:widow-orphan;
1211        font-size:10.0pt;
1212        font-family:"Calibri",sans-serif;
1213        mso-ascii-font-family:Calibri;
1214        mso-ascii-theme-font:minor-latin;
1215        mso-hansi-font-family:Calibri;
1216        mso-hansi-theme-font:minor-latin;}
1217</style>
1218<![endif]--><!--[if gte mso 9]><xml>
1219 <o:shapedefaults v:ext="edit" spidmax="2049"/>
1220</xml><![endif]--><!--[if gte mso 9]><xml>
1221 <o:shapelayout v:ext="edit">
1222  <o:idmap v:ext="edit" data="1"/>
1223 </o:shapelayout></xml><![endif]-->
1224</head>
1225
1226<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1227
1228<div class=WordSection1>
1229
1230<h1>Stacking Fault Simulations – I</h1>
1231
1232<p class=MsoNormal>In this exercise you will use GSAS-II to simulate the
1233diffraction patterns from faulted diamond. Diamond most commonly has the
1234well-known cubic structure with the space group Fd3m and a=3.5668A. The C-atom is
1235at 1/8,1/8,1/8 and can be viewed as a cubic stacking of ruffled hexagonal nets
1236along the cubic cell 111 diagonal. </p>
1237
1238<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1239 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1240 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1241 <v:stroke joinstyle="miter"/>
1242 <v:formulas>
1243  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1244  <v:f eqn="sum @0 1 0"/>
1245  <v:f eqn="sum 0 0 @1"/>
1246  <v:f eqn="prod @2 1 2"/>
1247  <v:f eqn="prod @3 21600 pixelWidth"/>
1248  <v:f eqn="prod @3 21600 pixelHeight"/>
1249  <v:f eqn="sum @0 0 1"/>
1250  <v:f eqn="prod @6 1 2"/>
1251  <v:f eqn="prod @7 21600 pixelWidth"/>
1252  <v:f eqn="sum @8 21600 0"/>
1253  <v:f eqn="prod @7 21600 pixelHeight"/>
1254  <v:f eqn="sum @10 21600 0"/>
1255 </v:formulas>
1256 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1257 <o:lock v:ext="edit" aspectratio="t"/>
1258</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1052" type="#_x0000_t75"
1259 style='width:361.5pt;height:270.75pt;visibility:visible;mso-wrap-style:square'>
1260 <v:imagedata src="Stacking%20Faults-I_files/image001.jpg" o:title=""/>
1261</v:shape><![endif]--><![if !vml]><img width=482 height=361
1262src="Stacking%20Faults-I_files/image002.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
1263
1264<p class=MsoNormal>The structure of lonsdaleite has those layers stacked
1265hexagonally and thus a faulted diamond structure may occasionally have
1266hexagonal stacked layers instead of all cubic ones. From geometric
1267considerations, these planar stacking faults must extend across the entire
1268crystal. If there are only a few such faults in a crystal then the diffraction
1269pattern will show two cubic diamond patterns in a twin law relationship.
1270Otherwise, if there are many such faults then the diffraction pattern will show
1271streaks. To simulate the streaks one must first develop a model for the
1272hexagonal net of C-atoms and then show how they stack in either the cubic or hexagonal
1273forms. GSAS-II uses a suite of subroutines from the DIFFaX program (M.M.J.
1274Treacy, J.M. Newsam &amp; M.W. Deem, (1991), Proc. Roy. Soc. Lond. 433A,
1275499-520) to calculate the diffraction pattern via a general recursion algorithm
1276and a randomized set of stacked layers. NB: this calculation can be quite time
1277consuming particularly if unreasonable demands are made on it. </p>
1278
1279<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1280
1281<h2>Simulation 1. Selected area diffraction for random faults in diamond</h2>
1282
1283<p class=MsoNormal>To begin we must have a phase to work with. In the main
1284GSAS-II data tree menu do <b style='mso-bidi-font-weight:normal'><span
1285style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1286mso-hansi-theme-font:minor-latin'>Data/Add new phase</span></b>; a popup window
1287will appear inviting you to name the phase. I entered <b style='mso-bidi-font-weight:
1288normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1289minor-latin;mso-hansi-theme-font:minor-latin'>‘random faults</span></b>’. Then
1290find this phase in the data tree under phases and select it; the data window
1291will display the default for the General tab.</p>
1292
1293<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1294 id="Picture_x0020_2" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:465pt;
1295 height:250.5pt;visibility:visible;mso-wrap-style:square'>
1296 <v:imagedata src="Stacking%20Faults-I_files/image003.png" o:title=""/>
1297</v:shape><![endif]--><![if !vml]><img width=620 height=334
1298src="Stacking%20Faults-I_files/image004.gif" v:shapes="Picture_x0020_2"><![endif]></span></p>
1299
1300<p class=MsoNormal>Change the phase type to ‘<b style='mso-bidi-font-weight:
1301normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1302minor-latin;mso-hansi-theme-font:minor-latin'>faulted</span></b>’; the window
1303will be redrawn and a new tab (‘<b style='mso-bidi-font-weight:normal'><span
1304style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1305mso-hansi-theme-font:minor-latin'>Layers</span></b>’) will appear. Select it.
1306Then save the project; I called it ‘<b style='mso-bidi-font-weight:normal'><span
1307style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1308mso-hansi-theme-font:minor-latin'>diamond</span></b>’.</p>
1309
1310<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1311 id="Picture_x0020_3" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:468pt;
1312 height:277.5pt;visibility:visible;mso-wrap-style:square'>
1313 <v:imagedata src="Stacking%20Faults-I_files/image005.png" o:title=""/>
1314</v:shape><![endif]--><![if !vml]><img width=624 height=370
1315src="Stacking%20Faults-I_files/image006.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1316
1317<p class=MsoNormal>First you need to describe the reference unit cell for the
1318stacking model. The cubic/hexagonal stacking in diamond is with layers
1319perpendicular to the 111 axis. This will become the new c-axis. The a- &amp;
1320b-axes are for the hexagonal net of C-atoms that are stacked in this structure.
1321One can also anticipate that the resulting diffraction pattern will have
1322hexagonal <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1323mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>6/mmm</span></b>
1324symmetry so first select this from the pull down box neat the top of the page;
1325the window will be redrawn.</p>
1326
1327<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1328 id="Picture_x0020_4" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:468pt;
1329 height:348pt;visibility:visible;mso-wrap-style:square'>
1330 <v:imagedata src="Stacking%20Faults-I_files/image007.png" o:title=""/>
1331</v:shape><![endif]--><![if !vml]><img width=624 height=464
1332src="Stacking%20Faults-I_files/image008.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1333
1334<p class=MsoNormal>The a cell parameter for diamond stacking can be assumed to
1335be a<!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span
1336 style='font-family:"Cambria Math",serif'><m:r>/&#8730;2</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span
1337style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1338"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1339top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1340EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1341 type="#_x0000_t75" style='width:20.25pt;height:15.75pt'>
1342 <v:imagedata src="Stacking%20Faults-I_files/image009.png" o:title=""
1343  chromakey="white"/>
1344</v:shape><![endif]--><![if !vml]><img width=27 height=21
1345src="Stacking%20Faults-I_files/image010.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
1346style='mso-spacerun:yes'> </span>= <b style='mso-bidi-font-weight:normal'><span
1347style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1348mso-hansi-theme-font:minor-latin'>2.522</span></b> and the c cell parameter is
1349a<!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span
1350 style='font-family:"Cambria Math",serif'><m:r>/&#8730;3</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span
1351style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1352"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1353top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1354EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1355 type="#_x0000_t75" style='width:20.25pt;height:15.75pt'>
1356 <v:imagedata src="Stacking%20Faults-I_files/image011.png" o:title=""
1357  chromakey="white"/>
1358</v:shape><![endif]--><![if !vml]><img width=27 height=21
1359src="Stacking%20Faults-I_files/image012.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
1360style='mso-spacerun:yes'> </span>= <b style='mso-bidi-font-weight:normal'><span
1361style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1362mso-hansi-theme-font:minor-latin'>2.059</span></b> since there are 3 layers
1363along the 111 diamond cell diagonal. Enter these in the appropriate places; the
1364cell volume will be revised.</p>
1365
1366<p class=MsoNormal>Now we have to describe the two hexagonal nets that will be
1367stacked for either cubic or hexagonal stacking. Select <b style='mso-bidi-font-weight:
1368normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1369minor-latin;mso-hansi-theme-font:minor-latin'>Add new layer?</span></b> the
1370window will be redrawn.</p>
1371
1372<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1373 id="Picture_x0020_5" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:468pt;
1374 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1375 <v:imagedata src="Stacking%20Faults-I_files/image013.png" o:title=""/>
1376</v:shape><![endif]--><![if !vml]><img width=624 height=479
1377src="Stacking%20Faults-I_files/image014.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1378
1379<p class=MsoNormal>Name the layer (I chose ‘<b style='mso-bidi-font-weight:
1380normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1381minor-latin;mso-hansi-theme-font:minor-latin'>layer 1</span></b>’) and choose <b
1382style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1383mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>‘-1</span></b>’
1384for the layer symmetry. The window will be redrawn after changing the name.
1385Next, select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1386"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1387minor-latin'>Add atom?</span></b> and the window will be redrawn with one line
1388in the layer table.</p>
1389
1390<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1391 id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:468pt;
1392 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1393 <v:imagedata src="Stacking%20Faults-I_files/image015.png" o:title=""/>
1394</v:shape><![endif]--><![if !vml]><img width=624 height=479
1395src="Stacking%20Faults-I_files/image016.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1396
1397<p class=MsoNormal>To make this a C-atom select the ‘<b style='mso-bidi-font-weight:
1398normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1399minor-latin;mso-hansi-theme-font:minor-latin'>Unk</span></b>’ under Type with a
1400double click; a Periodic table will popup. Select <b style='mso-bidi-font-weight:
1401normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1402minor-latin;mso-hansi-theme-font:minor-latin'>C</span></b>; the popup will
1403disappear and the window will be redrawn. The coordinates of this C-atom in the
1404new stacking unit cell is <b style='mso-bidi-font-weight:normal'><span
1405style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1406mso-hansi-theme-font:minor-latin'>-1/3,-1/6,-1/8</span></b>; you may enter
1407these as fractions. Select a table item to complete the entry; the window
1408should show the new position.</p>
1409
1410<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1411 id="Picture_x0020_8" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:468pt;
1412 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1413 <v:imagedata src="Stacking%20Faults-I_files/image017.png" o:title=""/>
1414</v:shape><![endif]--><![if !vml]><img width=624 height=479
1415src="Stacking%20Faults-I_files/image018.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1416
1417<p class=MsoNormal>You can draw the layer to see what it looks like; select <b
1418style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1419mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Draw layer?</span></b>
1420and the drawing will appear.<span style='mso-no-proof:yes'> <o:p></o:p></span></p>
1421
1422<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1423 id="Picture_x0020_10" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:364.5pt;
1424 height:272.25pt;visibility:visible;mso-wrap-style:square'>
1425 <v:imagedata src="Stacking%20Faults-I_files/image019.jpg" o:title=""/>
1426</v:shape><![endif]--><![if !vml]><img width=486 height=363
1427src="Stacking%20Faults-I_files/image020.jpg" v:shapes="Picture_x0020_10"><![endif]><o:p></o:p></span></p>
1428
1429<p class=MsoNormal><span style='mso-no-proof:yes'>A unit cell box is drawn with
1430a 5x5 suite of unit cells; the ruffled hexagonal net perpendicular to the
1431c-axis (blue line) is clear.<o:p></o:p></span></p>
1432
1433<p class=MsoNormal><span style='mso-no-proof:yes'>Now we need a second layer;
1434repeat the steps for making a layer using </span><b style='mso-bidi-font-weight:
1435normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1436minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>1/3,1/6,-1/8</span></b><span
1437style='mso-no-proof:yes'> for the C-atom position with </span><b
1438style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1439mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1440yes'>-1</span></b><span style='mso-no-proof:yes'> for the layer symmetry. The
1441window should look like this when done.<o:p></o:p></span></p>
1442
1443<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1444 id="Picture_x0020_11" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:468pt;
1445 height:468pt;visibility:visible;mso-wrap-style:square'>
1446 <v:imagedata src="Stacking%20Faults-I_files/image021.png" o:title=""/>
1447</v:shape><![endif]--><![if !vml]><img width=624 height=624
1448src="Stacking%20Faults-I_files/image022.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1449
1450<p class=MsoNormal>I’ve stretched it a bit to show the Layer-Layer transition
1451probabilities. Change <b style='mso-bidi-font-weight:normal'><span
1452style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1453mso-hansi-theme-font:minor-latin'>Dz</span></b> for each entry to <b
1454style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1455mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0</span></b>
1456to properly space out the stacked layers. If you select the first box in the
1457plot column for layer 1 you will see the two layers stacked but in a way
1458reminiscent of how carbon sheets stack in graphite. </p>
1459
1460<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1461 id="Picture_x0020_12" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:359.25pt;
1462 height:268.5pt;visibility:visible;mso-wrap-style:square'>
1463 <v:imagedata src="Stacking%20Faults-I_files/image023.jpg" o:title=""/>
1464</v:shape><![endif]--><![if !vml]><img width=479 height=358
1465src="Stacking%20Faults-I_files/image024.jpg" v:shapes="Picture_x0020_12"><![endif]></span></p>
1466
1467<p class=MsoNormal>Clearly not diamond stacking. The table defines how the next
1468layer is displaced relative to the reference layer. You can shift this layer by
1469using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1470mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>X,Y,Z</span></b>
1471&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1472mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>shift-X,Y,Z</span></b>
1473keys; the plot will be redrawn and the table entry updated each time you shift
1474the layer. When you get to the right offset for diamond additional bonds will
1475appear connecting the layers together. The correct shift is <b
1476style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1477mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dx=2/3</span></b>,
1478<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1479mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dy=1/3</span></b>
1480and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1481mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dz=1.0</span></b>
1482for the layer 1 to layer 1 transition and for layer 2 to layer 2 the shifts are
1483<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'>Dx=-2/3</span></b>,
1485<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1486mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dy=-1/3</span></b>
1487and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1488mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dz=1.0</span></b>.
1489For the remaining layer 1-layer 2 and <i style='mso-bidi-font-style:normal'>vice
1490versa</i> transitions <b style='mso-bidi-font-weight:normal'><span
1491style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1492mso-hansi-theme-font:minor-latin'>Dx=Dy=0</span></b>. Layer 1 to layer 1
1493stacking looks like.</p>
1494
1495<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1496 id="Picture_x0020_13" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:357.75pt;
1497 height:267.75pt;visibility:visible;mso-wrap-style:square'>
1498 <v:imagedata src="Stacking%20Faults-I_files/image025.jpg" o:title=""/>
1499</v:shape><![endif]--><![if !vml]><img width=477 height=357
1500src="Stacking%20Faults-I_files/image026.jpg" v:shapes="Picture_x0020_13"><![endif]></span></p>
1501
1502<p class=MsoNormal>You can explore the result of various stacking sequences in
1503the next block of commands; enter <b style='mso-bidi-font-weight:normal'><span
1504style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1505mso-hansi-theme-font:minor-latin'>1 1 1 1 2 2 2 2</span></b> into the box and
1506press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1507mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Enter</span></b>.
1508A plot showing the result of a single twin fault will be shown.</p>
1509
1510<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1511 id="Picture_x0020_14" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:362.25pt;
1512 height:270.75pt;visibility:visible;mso-wrap-style:square'>
1513 <v:imagedata src="Stacking%20Faults-I_files/image027.jpg" o:title=""/>
1514</v:shape><![endif]--><![if !vml]><img width=483 height=361
1515src="Stacking%20Faults-I_files/image028.jpg" v:shapes="Picture_x0020_14"><![endif]></span></p>
1516
1517<p class=MsoNormal>If you enter 1 2 1 2 1 2 1 2 then the structure of
1518lonsdaleite will be shown; 1 1 1 1 1 1 or 2 2 2 2 2 2 gives the diamond
1519structure. </p>
1520
1521<p class=MsoNormal>Finally we must select transition probabilities; they should
1522sum to 1.0 for each block. Use <b style='mso-bidi-font-weight:normal'><span
1523style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1524mso-hansi-theme-font:minor-latin'>0.7</span></b> for layer 1 to layer 1 and
1525layer 2 to layer 2; the cross terms are then <b style='mso-bidi-font-weight:
1526normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1527minor-latin;mso-hansi-theme-font:minor-latin'>0.3</span></b> to give</p>
1528
1529<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1530 id="Picture_x0020_15" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:468pt;
1531 height:336pt;visibility:visible;mso-wrap-style:square'>
1532 <v:imagedata src="Stacking%20Faults-I_files/image029.png" o:title=""/>
1533</v:shape><![endif]--><![if !vml]><img width=624 height=448
1534src="Stacking%20Faults-I_files/image030.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1535
1536<p class=MsoNormal>We are now ready to do a single crystal simulation; select <b
1537style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1538mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Simulate
1539pattern</span></b> from the Phase data window menu. A small popup will appear</p>
1540
1541<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1542 id="Picture_x0020_16" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:209.25pt;
1543 height:102pt;visibility:visible;mso-wrap-style:square'>
1544 <v:imagedata src="Stacking%20Faults-I_files/image031.png" o:title=""/>
1545</v:shape><![endif]--><![if !vml]><img width=279 height=136
1546src="Stacking%20Faults-I_files/image032.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1547
1548<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1549style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1550mso-hansi-theme-font:minor-latin'>selected area</span></b> for the calculation
1551type; the popup will be redrawn with new options.</p>
1552
1553<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1554 id="_x0000_i1038" type="#_x0000_t75" style='width:181.5pt;height:102pt;
1555 visibility:visible;mso-wrap-style:square'>
1556 <v:imagedata src="Stacking%20Faults-I_files/image033.png" o:title=""/>
1557</v:shape><![endif]--><![if !vml]><img width=242 height=136
1558src="Stacking%20Faults-I_files/image034.gif" v:shapes="_x0000_i1038"><![endif]></span></p>
1559
1560<p class=MsoNormal>To make it interesting select <b style='mso-bidi-font-weight:
1561normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1562minor-latin;mso-hansi-theme-font:minor-latin'>Max. l index</span></b> of <b
1563style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1564mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>6</span></b>
1565and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1566mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>.
1567Very quickly a new popup will appear letting you know the simulation is
1568finished; press <b style='mso-bidi-font-weight:normal'><span style='font-family:
1569"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1570minor-latin'>Ok</span></b>. The data window will be redrawn</p>
1571
1572<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1573 id="_x0000_i1037" type="#_x0000_t75" style='width:468pt;height:355.5pt;
1574 visibility:visible;mso-wrap-style:square'>
1575 <v:imagedata src="Stacking%20Faults-I_files/image035.png" o:title=""/>
1576</v:shape><![endif]--><![if !vml]><img width=624 height=474
1577src="Stacking%20Faults-I_files/image036.gif" v:shapes="_x0000_i1037"><![endif]></span></p>
1578
1579<p class=MsoNormal>At the top is a new item <b style='mso-bidi-font-weight:
1580normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1581minor-latin;mso-hansi-theme-font:minor-latin'>Plot selected area diffraction?</span></b>
1582Select it and a new plot will appear. The intensity scale is adjusted by
1583pressing <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1584mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>D</span></b>
1585(or <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'>U</span></b>);
1587I got</p>
1588
1589<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1590 id="Picture_x0020_17" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:363pt;
1591 height:341.25pt;visibility:visible;mso-wrap-style:square'>
1592 <v:imagedata src="Stacking%20Faults-I_files/image037.png" o:title=""/>
1593</v:shape><![endif]--><![if !vml]><img width=484 height=455
1594src="Stacking%20Faults-I_files/image038.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1595
1596<p class=MsoNormal>The streaking intermixed with sharp spots is clearly obvious
1597in this plot. Save this project; you’ll need it for the next simulation.</p>
1598
1599<h2>Simulation 2. Laboratory powder diffraction simulation for random faults in
1600diamond</h2>
1601
1602<p class=MsoNormal>The setup for a powder pattern simulation is the same as
1603above for selected are diffraction with one crucial difference. We need a dummy
1604powder pattern to define the simulation limits. Using the same project as
1605above, do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1606mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Import/Powder
1607data/Simulate a data set</span></b> from the main GSAS-II data tree window. A
1608popup will appear requesting the selection of an instrument parameter file;
1609here we will use one of the built in defaults. Press <b style='mso-bidi-font-weight:
1610normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1611minor-latin;mso-hansi-theme-font:minor-latin'>Cancel</span></b> and a new popup
1612will appear offering some choices.</p>
1613
1614<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1615 id="Picture_x0020_18" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:241.5pt;
1616 height:201pt;visibility:visible;mso-wrap-style:square'>
1617 <v:imagedata src="Stacking%20Faults-I_files/image039.png" o:title=""/>
1618</v:shape><![endif]--><![if !vml]><img width=322 height=268
1619src="Stacking%20Faults-I_files/image040.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1620
1621<p class=MsoNormal>Use the first one for <b style='mso-bidi-font-weight:normal'><span
1622style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1623mso-hansi-theme-font:minor-latin'>CuKa lab data</span></b>; a new popup will
1624appear</p>
1625
1626<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1627 id="Picture_x0020_19" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:238.5pt;
1628 height:256.5pt;visibility:visible;mso-wrap-style:square'>
1629 <v:imagedata src="Stacking%20Faults-I_files/image041.png" o:title=""/>
1630</v:shape><![endif]--><![if !vml]><img width=318 height=342
1631src="Stacking%20Faults-I_files/image042.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1632
1633<p class=MsoNormal>Change the end angle to <b style='mso-bidi-font-weight:normal'><span
1634style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1635mso-hansi-theme-font:minor-latin'>150</span></b> and the step size to <b
1636style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1637mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.02</span></b>;
1638press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1639mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>
1640and choose <b style='mso-bidi-font-weight:normal'><span style='font-family:
1641"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1642minor-latin'>random faults </span></b>(your phase name). Notice the small data
1643window lets you know that you can clear the observed intensities in the
1644simulation by doing an <b style='mso-bidi-font-weight:normal'><span
1645style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1646mso-hansi-theme-font:minor-latin'>Edit range</span></b> (no need to change
1647anything). The tree will have a new item <b style='mso-bidi-font-weight:normal'><span
1648style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1649mso-hansi-theme-font:minor-latin'>PWDR CW x-ray simulation</span></b>. Select <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'>Background</span></b>
1652&amp; enter <b style='mso-bidi-font-weight:normal'><span style='font-family:
1653"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1654minor-latin'>50</span></b> for the 1<sup>st</sup> coefficient. Next select <b
1655style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1656mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample
1657parameters</span></b> and enter <b style='mso-bidi-font-weight:normal'><span
1658style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1659mso-hansi-theme-font:minor-latin'>1000</span></b> for the <b style='mso-bidi-font-weight:
1660normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1661minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b>
1662and change the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1663"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1664minor-latin'>Diffractometer type</span></b> to <b style='mso-bidi-font-weight:
1665normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1666minor-latin;mso-hansi-theme-font:minor-latin'>Bragg-Brentano</span></b>.
1667Finally, find your phase (<b style='mso-bidi-font-weight:normal'><span
1668style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1669mso-hansi-theme-font:minor-latin'>random faults</span></b>) and select it and
1670then the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1671mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Layers</span></b>
1672tab. It should be unchanged from when the selected area simulation was
1673finished.</p>
1674
1675<p class=MsoNormal>To do the simulation do <b style='mso-bidi-font-weight:normal'><span
1676style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1677mso-hansi-theme-font:minor-latin'>Operations/Simulate pattern</span></b> and
1678press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1679mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>
1680from the popup. The calculated pattern will by default be broadened using U, V,
1681&amp; W from the Instrument parameters for the chosen powder pattern. Other
1682choices use a mean Gaussian broadening (faster) or no broadening (even faster).
1683The only choice for the pattern is given in the next popup; press <b
1684style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1685mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>
1686and the simulation will proceed. After a few seconds a small popup will appear
1687letting you know it is done; press <b style='mso-bidi-font-weight:normal'><span
1688style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1689mso-hansi-theme-font:minor-latin'>Ok</span></b> and the powder pattern will be
1690displayed with the result. On the plot press the ‘<b style='mso-bidi-font-weight:
1691normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1692minor-latin;mso-hansi-theme-font:minor-latin'>+</span></b>’ key to suppress the
1693‘+’ marks. The plot should look like: I’ve expanded the scale to show the
1694interesting stuff around each peak.</p>
1695
1696<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1697 id="Picture_x0020_20" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt;
1698 height:440.25pt;visibility:visible;mso-wrap-style:square'>
1699 <v:imagedata src="Stacking%20Faults-I_files/image043.png" o:title=""/>
1700</v:shape><![endif]--><![if !vml]><img width=624 height=587
1701src="Stacking%20Faults-I_files/image044.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1702
1703<p class=MsoNormal>The blue line is a simulated observed pattern with imposed
1704Poisson noise, the red line is the calculated background and the green curve is
1705the smooth calculated pattern. A difference curve is also shown. You can play
1706with changing the transition probabilities and/or the layer offsets to see what
1707effect these have on the pattern; changing these will change the calculated
1708pattern unless you reset the dummy profile as noted above.</p>
1709
1710<h2>Simulation 3. Sequential parameter change</h2>
1711
1712<p class=MsoNormal>A perhaps useful means of exploring the effects of changing
1713stacking parameters is doing a sequence of simulations varying one parameter
1714over a range. To try this out do Operations/Sequence simulations from the
1715Layers menu; a popup will appear</p>
1716
1717<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1718 id="Picture_x0020_21" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:209.25pt;
1719 height:143.25pt;visibility:visible;mso-wrap-style:square'>
1720 <v:imagedata src="Stacking%20Faults-I_files/image045.png" o:title=""/>
1721</v:shape><![endif]--><![if !vml]><img width=279 height=191
1722src="Stacking%20Faults-I_files/image046.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1723
1724<p class=MsoNormal>Here you select the parameter, range and number of steps
1725(both ends will be used). From the <b style='mso-bidi-font-weight:normal'><span
1726style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1727mso-hansi-theme-font:minor-latin'>Select parameter</span></b> pulldown choose <b
1728style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1729mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>TransP;0;0</span></b>;
1730this is the layer 1 to layer 1 transition probability. Then change the no.
1731steps to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1732mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>10</span></b>
1733(11 will be calculated). We have the same choices for instrument broadening as
1734above; use the default. Press <b style='mso-bidi-font-weight:normal'><span
1735style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1736mso-hansi-theme-font:minor-latin'>Ok</span></b>; the next popup allows
1737selection of a powder pattern (e.g. for comparison and the range for the
1738calculation). Press <b style='mso-bidi-font-weight:normal'><span
1739style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1740mso-hansi-theme-font:minor-latin'>Ok</span></b> for this one; the sequential
1741simulation will proceed. The console displays progress and the transition
1742matrix for each step. A popup will appear when the sequence is finished after
1743several seconds. Notice that the matrix is not symmetric so that layer1 to
1744layer 1 probability is not the same as layer 2 to layer 2 at each step in the
1745simulation. We can force this by selecting <b style='mso-bidi-font-weight:normal'><span
1746style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1747mso-hansi-theme-font:minor-latin'>Symmetric probabilities?</span></b> on the
1748Layers page. Do this and repeat the sequential simulation as above. Now the
1749matrices are symmetric as one could expect. When the simulation is finished,
1750select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1751"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1752minor-latin'>Plot sequential result?</span></b> box; a new plot will appear.</p>
1753
1754<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1755 id="Picture_x0020_22" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt;
1756 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1757 <v:imagedata src="Stacking%20Faults-I_files/image047.png" o:title=""/>
1758</v:shape><![endif]--><![if !vml]><img width=624 height=535
1759src="Stacking%20Faults-I_files/image048.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1760
1761<p class=MsoNormal>This is a multiline plot; you can shift the lines with the <b
1762style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1763mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>U,D,L,R</span></b>
1764keys (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1765mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b>
1766resets offsets to zero). I’ve done this for the next plot.</p>
1767
1768<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1769 id="Picture_x0020_23" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:468pt;
1770 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1771 <v:imagedata src="Stacking%20Faults-I_files/image049.png" o:title=""/>
1772</v:shape><![endif]--><![if !vml]><img width=624 height=535
1773src="Stacking%20Faults-I_files/image050.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1774
1775<p class=MsoNormal>The first blue line is for pure hexagonal lonsdaleite
1776stacking and the last magenta line is for pure cubic diamond stacking. You can
1777see how some lines quickly vanish with the introduction of stacking faults
1778while other persist across the entire sequence. This is a good place to save
1779your project file; the sequential result will be included.</p>
1780
1781<h2>Simulation 4. Modelling clustering in diamond</h2>
1782
1783<p class=MsoNormal>In this simulation we will explore the possibility that the
1784stacking history affects the probability of a fault. In the case of diamond, a
1785fault to form lonsdaleite could be followed by similar layers until a lower
1786probability fault converts the structure back to diamond. The crystal then has
1787blocks of diamond structure interleaved with blocks of lonsdaleite. This is
1788best done in a new phase so we don’t mess up the above simulations, but most of
1789the data in the current phase is useful for the cluster model. The easiest way
1790is to import the new phase from the current project. <b style='mso-bidi-font-weight:
1791normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1792minor-latin;mso-hansi-theme-font:minor-latin'>Do Import/Phase/from GSAS-II gpx
1793file</span></b> from the main GSAS-II data tree menu. A file selection dialog
1794box will appear; select the current project file (<b style='mso-bidi-font-weight:
1795normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1796minor-latin;mso-hansi-theme-font:minor-latin'>diamond.gpx</span></b>) and press
1797<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1798mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>.
1799A small popup will appear confirming your choice; press <b style='mso-bidi-font-weight:
1800normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1801minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>. The next popup
1802offers the change to name the phase, I chose <b style='mso-bidi-font-weight:
1803normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1804minor-latin;mso-hansi-theme-font:minor-latin'>clustered</span></b> for the
1805name. Next select the PWDR data set to be linked to this phase. The General tab
1806for the new phase will appear.</p>
1807
1808<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1809 id="Picture_x0020_24" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:468pt;
1810 height:252pt;visibility:visible;mso-wrap-style:square'>
1811 <v:imagedata src="Stacking%20Faults-I_files/image051.png" o:title=""/>
1812</v:shape><![endif]--><![if !vml]><img width=624 height=336
1813src="Stacking%20Faults-I_files/image052.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1814
1815<p class=MsoNormal>Notice that the Phase type is faulted and that Layers is one
1816of the tabs; select it.</p>
1817
1818<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1819 id="Picture_x0020_26" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468pt;
1820 height:355.5pt;visibility:visible;mso-wrap-style:square'>
1821 <v:imagedata src="Stacking%20Faults-I_files/image053.png" o:title=""/>
1822</v:shape><![endif]--><![if !vml]><img width=624 height=474
1823src="Stacking%20Faults-I_files/image054.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
1824
1825<p class=MsoNormal>This is all the same information as for the random faults
1826phase. To simulate clustering we need two new layers which are the same as
1827these two listed here. Do <b style='mso-bidi-font-weight:normal'><span
1828style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1829mso-hansi-theme-font:minor-latin'>Add new layer?</span></b> twice so two new
1830layers appear. Name them <b style='mso-bidi-font-weight:normal'><span
1831style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1832mso-hansi-theme-font:minor-latin'>layer 3</span></b> and <b style='mso-bidi-font-weight:
1833normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1834minor-latin;mso-hansi-theme-font:minor-latin'>layer 4</span></b>. Make layer 3 <b
1835style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1836mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Same as
1837layer</span></b> 1 (select from the pull down) and layer 4 <b style='mso-bidi-font-weight:
1838normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1839minor-latin;mso-hansi-theme-font:minor-latin'>Same as layer 2</span></b>. Each
1840time the window is redrawn so that the transition probability tables reflect
1841these changes. You should also change the <b style='mso-bidi-font-weight:normal'><span
1842style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1843mso-hansi-theme-font:minor-latin'>Diffraction Laue symmetry</span></b> to <b
1844style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1845mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-3m</span></b>.
1846When you are done the upper part of the Layers window should look like.</p>
1847
1848<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1849
1850<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1851
1852<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1853 id="Picture_x0020_28" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;
1854 height:355.5pt;visibility:visible;mso-wrap-style:square'>
1855 <v:imagedata src="Stacking%20Faults-I_files/image055.png" o:title=""/>
1856</v:shape><![endif]--><![if !vml]><img width=624 height=474
1857src="Stacking%20Faults-I_files/image056.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
1858
1859<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1860
1861<p class=MsoNormal>The transition vectors for the cluster model are similar to
1862the random faults model, i.e. layer 1-1 and layer 3-1 transitions are <b
1863style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1864mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2/3,1/3,1</span></b>
1865for Dx, Dy &amp; Dz, layer, and layer 2-4 and 4-4 transitions are <b
1866style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1867mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-2/3,-1/3,1</span></b>
1868for Dx, Dy &amp; Dz. All the rest are <b style='mso-bidi-font-weight:normal'><span
1869style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1870mso-hansi-theme-font:minor-latin'>0,0,1</span></b> for Dx,,Dy &amp; Dz. The
1871probabilities can best be seen from the following array</p>
1872
1873<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1874
1875<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0
1876 style='border-collapse:collapse;border:none;mso-border-alt:solid windowtext .5pt;
1877 mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'>
1878 <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes;height:21.45pt'>
1879  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1880  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1881  <p class=MsoNormal>Layer</p>
1882  </td>
1883  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1884  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1885  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1886  <p class=MsoNormal>1</p>
1887  </td>
1888  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1889  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1890  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1891  <p class=MsoNormal>2</p>
1892  </td>
1893  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1894  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1895  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1896  <p class=MsoNormal>3</p>
1897  </td>
1898  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1899  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1900  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1901  <p class=MsoNormal>4</p>
1902  </td>
1903 </tr>
1904 <tr style='mso-yfti-irow:1;height:21.45pt'>
1905  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1906  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1907  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1908  <p class=MsoNormal>1</p>
1909  </td>
1910  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1911  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1912  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1913  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1914  <p class=MsoNormal>CS</p>
1915  </td>
1916  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1917  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1918  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1919  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1920  <p class=MsoNormal>CF</p>
1921  </td>
1922  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1923  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1924  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1925  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1926  <p class=MsoNormal>x</p>
1927  </td>
1928  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1929  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1930  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1931  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1932  <p class=MsoNormal>x</p>
1933  </td>
1934 </tr>
1935 <tr style='mso-yfti-irow:2;height:21.45pt'>
1936  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1937  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1938  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1939  <p class=MsoNormal>2</p>
1940  </td>
1941  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1942  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1943  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1944  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1945  <p class=MsoNormal>x</p>
1946  </td>
1947  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1948  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1949  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1950  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1951  <p class=MsoNormal>x</p>
1952  </td>
1953  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1954  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1955  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1956  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1957  <p class=MsoNormal>HS</p>
1958  </td>
1959  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1960  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1961  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1962  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1963  <p class=MsoNormal>HF</p>
1964  </td>
1965 </tr>
1966 <tr style='mso-yfti-irow:3;height:21.45pt'>
1967  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1968  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1969  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1970  <p class=MsoNormal>3</p>
1971  </td>
1972  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1973  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1974  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1975  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1976  <p class=MsoNormal>HF</p>
1977  </td>
1978  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1979  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1980  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1981  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1982  <p class=MsoNormal>HS</p>
1983  </td>
1984  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1985  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1986  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1987  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1988  <p class=MsoNormal>x</p>
1989  </td>
1990  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1991  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1992  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1993  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1994  <p class=MsoNormal>x</p>
1995  </td>
1996 </tr>
1997 <tr style='mso-yfti-irow:4;mso-yfti-lastrow:yes;height:21.45pt'>
1998  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1999  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
2000  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2001  <p class=MsoNormal>4</p>
2002  </td>
2003  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2004  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2005  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2006  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2007  <p class=MsoNormal>x</p>
2008  </td>
2009  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2010  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2011  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2012  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2013  <p class=MsoNormal>x</p>
2014  </td>
2015  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2016  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2017  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2018  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2019  <p class=MsoNormal>CF</p>
2020  </td>
2021  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2022  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2023  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2024  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2025  <p class=MsoNormal>CS</p>
2026  </td>
2027 </tr>
2028</table>
2029
2030<p class=MsoNormal>Where CS – cubic stacking, CF – cubic fault, HS – hexagonal
2031stacking, HF – hexagonal fault and x – not allowed. A suitable model might be
2032CS = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2033mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.9</span></b>,
2034CF = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2035mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.1</span></b>,
2036HS = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2037mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.8</span></b>
2038and HF = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2039mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.2</span></b>.
2040This will give more and thicker cubic blocks than hexagonal ones. Set these
2041values and the Transition tables should look like</p>
2042
2043<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2044 id="Picture_x0020_29" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468pt;
2045 height:465pt;visibility:visible;mso-wrap-style:square'>
2046 <v:imagedata src="Stacking%20Faults-I_files/image057.png" o:title=""/>
2047</v:shape><![endif]--><![if !vml]><img width=624 height=620
2048src="Stacking%20Faults-I_files/image058.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
2049
2050<p class=MsoNormal>Before doing the simulation we need to clear away the old
2051one; select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2052"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2053minor-latin'>PWDR</span></b> entry from the GSAS-II data tree and then select <b
2054style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2055mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit range</span></b>
2056from the data window. Don’t change anything, just press <b style='mso-bidi-font-weight:
2057normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2058minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>; this will clear
2059the previous simulation. Then return to the clustered phase Layers tab. Do <b
2060style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2061mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Simulate
2062pattern</span></b> and press <b style='mso-bidi-font-weight:normal'><span
2063style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2064mso-hansi-theme-font:minor-latin'>Ok</span></b> twice. The simulation will
2065require some seconds to finish; the powder profile will look like</p>
2066
2067<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2068 id="Picture_x0020_30" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt;
2069 height:401.25pt;visibility:visible;mso-wrap-style:square'>
2070 <v:imagedata src="Stacking%20Faults-I_files/image059.png" o:title=""/>
2071</v:shape><![endif]--><![if !vml]><img width=624 height=535
2072src="Stacking%20Faults-I_files/image060.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
2073
2074<p class=MsoNormal>Again, I have used ‘<b style='mso-bidi-font-weight:normal'><span
2075style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2076mso-hansi-theme-font:minor-latin'>+</span></b>’ and zoomed in to show the
2077interesting part of the pattern. </p>
2078
2079<p class=MsoNormal>As additional work you can do sequential simulations to
2080explore the effect of changing probabilities. Try varying <b style='mso-bidi-font-weight:
2081normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2082minor-latin;mso-hansi-theme-font:minor-latin'>TransP;0;0</span></b>, i.e. layer
20831 – layer 1 (CS) transition probability and <b style='mso-bidi-font-weight:
2084normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2085minor-latin;mso-hansi-theme-font:minor-latin'>TransP;2;1</span></b>, i.e. layer
20863 – layer – 2 (HS) transition probability. Be sure the <b style='mso-bidi-font-weight:
2087normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2088minor-latin;mso-hansi-theme-font:minor-latin'>Symmetric probabilities</span></b>
2089box is checked otherwise you’ll get nonsense. This ends this stacking fault
2090tutorial; the next one involves using kaolinite layers to simulate diffraction
2091patterns from kaolinite clays.</p>
2092
2093</div>
2094
2095</body>
2096
2097</html>
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