source: Tutorials/StackingFaults-I/Stacking Faults-I.htm @ 2250

Last change on this file since 2250 was 2250, checked in by vondreele, 6 years ago
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410  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
411  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
412  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
413  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
414  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
415  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
416  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
417  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
418  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
419  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
420  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
421  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
422  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
423  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
424  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
425  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
426  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
427  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
428  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
429  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
430  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
431  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
432  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
433  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
434  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
435  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
436  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
437  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
438  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
439  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
440  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
441  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
442  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
443  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
444  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
445  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
446  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
447  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
448  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
449  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
450  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
451  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
452  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
453  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
454  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
455  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
456  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
457  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
458  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
459  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
460  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
461  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
462  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
463  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
464  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
465  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
466  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
467  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
468  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
469  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
470  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
471  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
472  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
473  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
474  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
475  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
476  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
477  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
478  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
479  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
480  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
481  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
482  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
483  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
484  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
485  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
486  <w:LsdException Locked="false" Priority="19" QFormat="true"
487   Name="Subtle Emphasis"/>
488  <w:LsdException Locked="false" Priority="21" QFormat="true"
489   Name="Intense Emphasis"/>
490  <w:LsdException Locked="false" Priority="31" QFormat="true"
491   Name="Subtle Reference"/>
492  <w:LsdException Locked="false" Priority="32" QFormat="true"
493   Name="Intense Reference"/>
494  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
495  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
496   UnhideWhenUsed="true" Name="Bibliography"/>
497  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
498   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
499  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
500  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
501  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
502  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
503  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
504  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
505  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
506  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
507  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
508  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
509  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
510  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
511  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
512  <w:LsdException Locked="false" Priority="46"
513   Name="Grid Table 1 Light Accent 1"/>
514  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
515  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
516  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
517  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
518  <w:LsdException Locked="false" Priority="51"
519   Name="Grid Table 6 Colorful Accent 1"/>
520  <w:LsdException Locked="false" Priority="52"
521   Name="Grid Table 7 Colorful Accent 1"/>
522  <w:LsdException Locked="false" Priority="46"
523   Name="Grid Table 1 Light Accent 2"/>
524  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
525  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
526  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
527  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
528  <w:LsdException Locked="false" Priority="51"
529   Name="Grid Table 6 Colorful Accent 2"/>
530  <w:LsdException Locked="false" Priority="52"
531   Name="Grid Table 7 Colorful Accent 2"/>
532  <w:LsdException Locked="false" Priority="46"
533   Name="Grid Table 1 Light Accent 3"/>
534  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
535  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
536  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
537  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
538  <w:LsdException Locked="false" Priority="51"
539   Name="Grid Table 6 Colorful Accent 3"/>
540  <w:LsdException Locked="false" Priority="52"
541   Name="Grid Table 7 Colorful Accent 3"/>
542  <w:LsdException Locked="false" Priority="46"
543   Name="Grid Table 1 Light Accent 4"/>
544  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
545  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
546  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
547  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
548  <w:LsdException Locked="false" Priority="51"
549   Name="Grid Table 6 Colorful Accent 4"/>
550  <w:LsdException Locked="false" Priority="52"
551   Name="Grid Table 7 Colorful Accent 4"/>
552  <w:LsdException Locked="false" Priority="46"
553   Name="Grid Table 1 Light Accent 5"/>
554  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
555  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
556  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
557  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
558  <w:LsdException Locked="false" Priority="51"
559   Name="Grid Table 6 Colorful Accent 5"/>
560  <w:LsdException Locked="false" Priority="52"
561   Name="Grid Table 7 Colorful Accent 5"/>
562  <w:LsdException Locked="false" Priority="46"
563   Name="Grid Table 1 Light Accent 6"/>
564  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
565  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
566  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
567  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
568  <w:LsdException Locked="false" Priority="51"
569   Name="Grid Table 6 Colorful Accent 6"/>
570  <w:LsdException Locked="false" Priority="52"
571   Name="Grid Table 7 Colorful Accent 6"/>
572  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
573  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
574  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
575  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
576  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
577  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
578  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
579  <w:LsdException Locked="false" Priority="46"
580   Name="List Table 1 Light Accent 1"/>
581  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
582  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
583  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
584  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
585  <w:LsdException Locked="false" Priority="51"
586   Name="List Table 6 Colorful Accent 1"/>
587  <w:LsdException Locked="false" Priority="52"
588   Name="List Table 7 Colorful Accent 1"/>
589  <w:LsdException Locked="false" Priority="46"
590   Name="List Table 1 Light Accent 2"/>
591  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
592  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
593  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
594  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
595  <w:LsdException Locked="false" Priority="51"
596   Name="List Table 6 Colorful Accent 2"/>
597  <w:LsdException Locked="false" Priority="52"
598   Name="List Table 7 Colorful Accent 2"/>
599  <w:LsdException Locked="false" Priority="46"
600   Name="List Table 1 Light Accent 3"/>
601  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
602  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
603  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
604  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
605  <w:LsdException Locked="false" Priority="51"
606   Name="List Table 6 Colorful Accent 3"/>
607  <w:LsdException Locked="false" Priority="52"
608   Name="List Table 7 Colorful Accent 3"/>
609  <w:LsdException Locked="false" Priority="46"
610   Name="List Table 1 Light Accent 4"/>
611  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
612  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
613  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
614  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
615  <w:LsdException Locked="false" Priority="51"
616   Name="List Table 6 Colorful Accent 4"/>
617  <w:LsdException Locked="false" Priority="52"
618   Name="List Table 7 Colorful Accent 4"/>
619  <w:LsdException Locked="false" Priority="46"
620   Name="List Table 1 Light Accent 5"/>
621  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
622  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
623  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
624  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
625  <w:LsdException Locked="false" Priority="51"
626   Name="List Table 6 Colorful Accent 5"/>
627  <w:LsdException Locked="false" Priority="52"
628   Name="List Table 7 Colorful Accent 5"/>
629  <w:LsdException Locked="false" Priority="46"
630   Name="List Table 1 Light Accent 6"/>
631  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
632  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
633  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
634  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
635  <w:LsdException Locked="false" Priority="51"
636   Name="List Table 6 Colorful Accent 6"/>
637  <w:LsdException Locked="false" Priority="52"
638   Name="List Table 7 Colorful Accent 6"/>
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787        tab-stops:center 3.25in right 6.5in;
788        font-size:12.0pt;
789        font-family:"Times New Roman",serif;
790        mso-fareast-font-family:"Times New Roman";
791        mso-fareast-theme-font:minor-fareast;}
792a:link, span.MsoHyperlink
793        {mso-style-noshow:yes;
794        mso-style-priority:99;
795        color:blue;
796        text-decoration:underline;
797        text-underline:single;}
798a:visited, span.MsoHyperlinkFollowed
799        {mso-style-noshow:yes;
800        mso-style-priority:99;
801        color:purple;
802        text-decoration:underline;
803        text-underline:single;}
804p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
805        {mso-style-noshow:yes;
806        mso-style-priority:99;
807        mso-style-link:"Document Map Char";
808        margin:0in;
809        margin-bottom:.0001pt;
810        mso-pagination:widow-orphan;
811        font-size:8.0pt;
812        font-family:"Tahoma",sans-serif;
813        mso-fareast-font-family:"Times New Roman";
814        mso-fareast-theme-font:minor-fareast;}
815p
816        {mso-style-noshow:yes;
817        mso-style-priority:99;
818        mso-margin-top-alt:auto;
819        margin-right:0in;
820        mso-margin-bottom-alt:auto;
821        margin-left:0in;
822        mso-pagination:widow-orphan;
823        font-size:12.0pt;
824        font-family:"Times New Roman",serif;
825        mso-fareast-font-family:"Times New Roman";
826        mso-fareast-theme-font:minor-fareast;}
827pre
828        {mso-style-noshow:yes;
829        mso-style-priority:99;
830        mso-style-link:"HTML Preformatted Char";
831        margin:0in;
832        margin-bottom:.0001pt;
833        mso-pagination:widow-orphan;
834        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;
835        font-size:10.0pt;
836        font-family:"Courier New";
837        mso-fareast-font-family:"Times New Roman";}
838p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
839        {mso-style-noshow:yes;
840        mso-style-priority:99;
841        mso-style-link:"Balloon Text Char";
842        margin:0in;
843        margin-bottom:.0001pt;
844        mso-pagination:widow-orphan;
845        font-size:8.0pt;
846        font-family:"Tahoma",sans-serif;
847        mso-fareast-font-family:"Times New Roman";
848        mso-fareast-theme-font:minor-fareast;}
849span.MsoPlaceholderText
850        {mso-style-noshow:yes;
851        mso-style-priority:99;
852        mso-style-unhide:no;
853        color:gray;}
854p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
855        {mso-style-noshow:yes;
856        mso-style-priority:1;
857        mso-style-unhide:no;
858        mso-style-qformat:yes;
859        mso-style-parent:"";
860        margin:0in;
861        margin-bottom:.0001pt;
862        mso-pagination:widow-orphan;
863        font-size:12.0pt;
864        font-family:"Times New Roman",serif;
865        mso-fareast-font-family:"Times New Roman";
866        mso-fareast-theme-font:minor-fareast;}
867p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
868        {mso-style-noshow:yes;
869        mso-style-priority:34;
870        mso-style-unhide:no;
871        mso-style-qformat:yes;
872        margin-top:0in;
873        margin-right:0in;
874        margin-bottom:0in;
875        margin-left:.5in;
876        margin-bottom:.0001pt;
877        mso-add-space:auto;
878        mso-pagination:widow-orphan;
879        font-size:12.0pt;
880        font-family:"Times New Roman",serif;
881        mso-fareast-font-family:"Times New Roman";
882        mso-fareast-theme-font:minor-fareast;}
883p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
884        {mso-style-noshow:yes;
885        mso-style-priority:34;
886        mso-style-unhide:no;
887        mso-style-qformat:yes;
888        mso-style-type:export-only;
889        margin-top:0in;
890        margin-right:0in;
891        margin-bottom:0in;
892        margin-left:.5in;
893        margin-bottom:.0001pt;
894        mso-add-space:auto;
895        mso-pagination:widow-orphan;
896        font-size:12.0pt;
897        font-family:"Times New Roman",serif;
898        mso-fareast-font-family:"Times New Roman";
899        mso-fareast-theme-font:minor-fareast;}
900p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
901        {mso-style-noshow:yes;
902        mso-style-priority:34;
903        mso-style-unhide:no;
904        mso-style-qformat:yes;
905        mso-style-type:export-only;
906        margin-top:0in;
907        margin-right:0in;
908        margin-bottom:0in;
909        margin-left:.5in;
910        margin-bottom:.0001pt;
911        mso-add-space:auto;
912        mso-pagination:widow-orphan;
913        font-size:12.0pt;
914        font-family:"Times New Roman",serif;
915        mso-fareast-font-family:"Times New Roman";
916        mso-fareast-theme-font:minor-fareast;}
917p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
918        {mso-style-noshow:yes;
919        mso-style-priority:34;
920        mso-style-unhide:no;
921        mso-style-qformat:yes;
922        mso-style-type:export-only;
923        margin-top:0in;
924        margin-right:0in;
925        margin-bottom:0in;
926        margin-left:.5in;
927        margin-bottom:.0001pt;
928        mso-add-space:auto;
929        mso-pagination:widow-orphan;
930        font-size:12.0pt;
931        font-family:"Times New Roman",serif;
932        mso-fareast-font-family:"Times New Roman";
933        mso-fareast-theme-font:minor-fareast;}
934span.MsoIntenseReference
935        {mso-style-priority:32;
936        mso-style-unhide:no;
937        mso-style-qformat:yes;
938        font-variant:small-caps;
939        color:#C0504D;
940        mso-themecolor:accent2;
941        letter-spacing:.25pt;
942        font-weight:bold;
943        text-decoration:underline;
944        text-underline:single;}
945span.Heading1Char
946        {mso-style-name:"Heading 1 Char";
947        mso-style-priority:9;
948        mso-style-unhide:no;
949        mso-style-locked:yes;
950        mso-style-link:"Heading 1";
951        mso-ansi-font-size:24.0pt;
952        mso-bidi-font-size:24.0pt;
953        font-family:"Times New Roman",serif;
954        mso-ascii-font-family:"Times New Roman";
955        mso-fareast-font-family:"Times New Roman";
956        mso-fareast-theme-font:minor-fareast;
957        mso-hansi-font-family:"Times New Roman";
958        mso-bidi-font-family:"Times New Roman";
959        mso-font-kerning:18.0pt;
960        font-weight:bold;}
961span.Heading2Char
962        {mso-style-name:"Heading 2 Char";
963        mso-style-noshow:yes;
964        mso-style-priority:9;
965        mso-style-unhide:no;
966        mso-style-locked:yes;
967        mso-style-link:"Heading 2";
968        mso-ansi-font-size:18.0pt;
969        mso-bidi-font-size:18.0pt;
970        font-family:"Times New Roman",serif;
971        mso-ascii-font-family:"Times New Roman";
972        mso-fareast-font-family:"Times New Roman";
973        mso-fareast-theme-font:minor-fareast;
974        mso-hansi-font-family:"Times New Roman";
975        mso-bidi-font-family:"Times New Roman";
976        font-weight:bold;}
977span.Heading3Char
978        {mso-style-name:"Heading 3 Char";
979        mso-style-noshow:yes;
980        mso-style-priority:9;
981        mso-style-unhide:no;
982        mso-style-locked:yes;
983        mso-style-link:"Heading 3";
984        mso-ansi-font-size:13.5pt;
985        mso-bidi-font-size:13.5pt;
986        font-family:"Times New Roman",serif;
987        mso-ascii-font-family:"Times New Roman";
988        mso-fareast-font-family:"Times New Roman";
989        mso-fareast-theme-font:minor-fareast;
990        mso-hansi-font-family:"Times New Roman";
991        mso-bidi-font-family:"Times New Roman";
992        font-weight:bold;}
993span.Heading4Char
994        {mso-style-name:"Heading 4 Char";
995        mso-style-noshow:yes;
996        mso-style-priority:9;
997        mso-style-unhide:no;
998        mso-style-locked:yes;
999        mso-style-link:"Heading 4";
1000        mso-ansi-font-size:13.0pt;
1001        mso-bidi-font-size:13.0pt;
1002        font-family:"Cambria",serif;
1003        mso-ascii-font-family:Cambria;
1004        mso-ascii-theme-font:major-latin;
1005        mso-fareast-font-family:"Times New Roman";
1006        mso-fareast-theme-font:major-fareast;
1007        mso-hansi-font-family:Cambria;
1008        mso-hansi-theme-font:major-latin;
1009        mso-bidi-font-family:"Times New Roman";
1010        mso-bidi-theme-font:major-bidi;
1011        color:#4F81BD;
1012        mso-themecolor:accent1;
1013        font-weight:bold;
1014        font-style:italic;}
1015span.Heading5Char
1016        {mso-style-name:"Heading 5 Char";
1017        mso-style-noshow:yes;
1018        mso-style-priority:9;
1019        mso-style-unhide:no;
1020        mso-style-locked:yes;
1021        mso-style-link:"Heading 5";
1022        mso-ansi-font-size:12.0pt;
1023        mso-bidi-font-size:12.0pt;
1024        font-family:"Times New Roman",serif;
1025        mso-ascii-font-family:"Times New Roman";
1026        mso-fareast-font-family:"Times New Roman";
1027        mso-fareast-theme-font:minor-fareast;
1028        mso-hansi-font-family:"Times New Roman";
1029        mso-bidi-font-family:"Times New Roman";
1030        color:#4F4FFF;
1031        font-weight:bold;}
1032span.HTMLPreformattedChar
1033        {mso-style-name:"HTML Preformatted Char";
1034        mso-style-noshow:yes;
1035        mso-style-priority:99;
1036        mso-style-unhide:no;
1037        mso-style-locked:yes;
1038        mso-style-link:"HTML Preformatted";
1039        mso-ansi-font-size:10.0pt;
1040        mso-bidi-font-size:10.0pt;
1041        font-family:"Courier New";
1042        mso-ascii-font-family:"Courier New";
1043        mso-fareast-font-family:"Times New Roman";
1044        mso-hansi-font-family:"Courier New";
1045        mso-bidi-font-family:"Courier New";}
1046span.DocumentMapChar
1047        {mso-style-name:"Document Map Char";
1048        mso-style-noshow:yes;
1049        mso-style-priority:99;
1050        mso-style-unhide:no;
1051        mso-style-locked:yes;
1052        mso-style-link:"Document Map";
1053        mso-ansi-font-size:8.0pt;
1054        mso-bidi-font-size:8.0pt;
1055        font-family:"Tahoma",sans-serif;
1056        mso-ascii-font-family:Tahoma;
1057        mso-fareast-font-family:"Times New Roman";
1058        mso-fareast-theme-font:minor-fareast;
1059        mso-hansi-font-family:Tahoma;
1060        mso-bidi-font-family:Tahoma;}
1061span.BalloonTextChar
1062        {mso-style-name:"Balloon Text Char";
1063        mso-style-noshow:yes;
1064        mso-style-priority:99;
1065        mso-style-unhide:no;
1066        mso-style-locked:yes;
1067        mso-style-link:"Balloon Text";
1068        mso-ansi-font-size:8.0pt;
1069        mso-bidi-font-size:8.0pt;
1070        font-family:"Tahoma",sans-serif;
1071        mso-ascii-font-family:Tahoma;
1072        mso-fareast-font-family:"Times New Roman";
1073        mso-fareast-theme-font:minor-fareast;
1074        mso-hansi-font-family:Tahoma;
1075        mso-bidi-font-family:Tahoma;}
1076span.GSAS-IItextChar
1077        {mso-style-name:"GSAS-II text Char";
1078        mso-style-unhide:no;
1079        mso-style-locked:yes;
1080        mso-style-link:"GSAS-II text";
1081        mso-ansi-font-size:12.0pt;
1082        mso-bidi-font-size:12.0pt;
1083        font-family:"Times New Roman",serif;
1084        mso-ascii-font-family:"Times New Roman";
1085        mso-fareast-font-family:"Times New Roman";
1086        mso-fareast-theme-font:minor-fareast;
1087        mso-hansi-font-family:"Times New Roman";
1088        mso-bidi-font-family:Calibri;
1089        mso-bidi-theme-font:minor-latin;
1090        font-weight:bold;
1091        mso-bidi-font-weight:normal;}
1092p.GSAS-IItext, li.GSAS-IItext, div.GSAS-IItext
1093        {mso-style-name:"GSAS-II text";
1094        mso-style-noshow:yes;
1095        mso-style-priority:99;
1096        mso-style-unhide:no;
1097        mso-style-link:"GSAS-II text Char";
1098        margin:0in;
1099        margin-bottom:.0001pt;
1100        mso-pagination:widow-orphan;
1101        font-size:12.0pt;
1102        font-family:"Calibri",sans-serif;
1103        mso-ascii-font-family:Calibri;
1104        mso-ascii-theme-font:minor-latin;
1105        mso-fareast-font-family:"Times New Roman";
1106        mso-fareast-theme-font:minor-fareast;
1107        mso-hansi-font-family:Calibri;
1108        mso-hansi-theme-font:minor-latin;
1109        mso-bidi-font-family:Calibri;
1110        mso-bidi-theme-font:minor-latin;
1111        font-weight:bold;
1112        mso-bidi-font-weight:normal;}
1113span.HeaderChar
1114        {mso-style-name:"Header Char";
1115        mso-style-priority:99;
1116        mso-style-unhide:no;
1117        mso-style-locked:yes;
1118        mso-style-link:Header;
1119        mso-ansi-font-size:12.0pt;
1120        mso-bidi-font-size:12.0pt;
1121        font-family:"Times New Roman",serif;
1122        mso-ascii-font-family:"Times New Roman";
1123        mso-fareast-font-family:"Times New Roman";
1124        mso-fareast-theme-font:minor-fareast;
1125        mso-hansi-font-family:"Times New Roman";
1126        mso-bidi-font-family:"Times New Roman";}
1127span.FooterChar
1128        {mso-style-name:"Footer Char";
1129        mso-style-priority:99;
1130        mso-style-unhide:no;
1131        mso-style-locked:yes;
1132        mso-style-link:Footer;
1133        mso-ansi-font-size:12.0pt;
1134        mso-bidi-font-size:12.0pt;
1135        font-family:"Times New Roman",serif;
1136        mso-ascii-font-family:"Times New Roman";
1137        mso-fareast-font-family:"Times New Roman";
1138        mso-fareast-theme-font:minor-fareast;
1139        mso-hansi-font-family:"Times New Roman";
1140        mso-bidi-font-family:"Times New Roman";}
1141.MsoChpDefault
1142        {mso-style-type:export-only;
1143        mso-default-props:yes;
1144        font-size:10.0pt;
1145        mso-ansi-font-size:10.0pt;
1146        mso-bidi-font-size:10.0pt;
1147        font-family:"Calibri",sans-serif;
1148        mso-ascii-font-family:Calibri;
1149        mso-ascii-theme-font:minor-latin;
1150        mso-fareast-font-family:Calibri;
1151        mso-fareast-theme-font:minor-latin;
1152        mso-hansi-font-family:Calibri;
1153        mso-hansi-theme-font:minor-latin;
1154        mso-bidi-font-family:"Times New Roman";
1155        mso-bidi-theme-font:minor-bidi;}
1156 /* Page Definitions */
1157 @page
1158        {mso-footnote-separator:url("Stacking%20Faults-I_files/header.htm") fs;
1159        mso-footnote-continuation-separator:url("Stacking%20Faults-I_files/header.htm") fcs;
1160        mso-endnote-separator:url("Stacking%20Faults-I_files/header.htm") es;
1161        mso-endnote-continuation-separator:url("Stacking%20Faults-I_files/header.htm") ecs;}
1162@page WordSection1
1163        {size:8.5in 11.0in;
1164        margin:1.0in 1.0in 1.0in 1.0in;
1165        mso-header-margin:.5in;
1166        mso-footer-margin:.5in;
1167        mso-even-header:url("Stacking%20Faults-I_files/header.htm") eh1;
1168        mso-header:url("Stacking%20Faults-I_files/header.htm") h1;
1169        mso-even-footer:url("Stacking%20Faults-I_files/header.htm") ef1;
1170        mso-footer:url("Stacking%20Faults-I_files/header.htm") f1;
1171        mso-first-header:url("Stacking%20Faults-I_files/header.htm") fh1;
1172        mso-first-footer:url("Stacking%20Faults-I_files/header.htm") ff1;
1173        mso-paper-source:0;}
1174div.WordSection1
1175        {page:WordSection1;}
1176-->
1177</style>
1178<!--[if gte mso 10]>
1179<style>
1180 /* Style Definitions */
1181 table.MsoNormalTable
1182        {mso-style-name:"Table Normal";
1183        mso-tstyle-rowband-size:0;
1184        mso-tstyle-colband-size:0;
1185        mso-style-noshow:yes;
1186        mso-style-priority:99;
1187        mso-style-parent:"";
1188        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1189        mso-para-margin:0in;
1190        mso-para-margin-bottom:.0001pt;
1191        mso-pagination:widow-orphan;
1192        font-size:10.0pt;
1193        font-family:"Calibri",sans-serif;
1194        mso-ascii-font-family:Calibri;
1195        mso-ascii-theme-font:minor-latin;
1196        mso-hansi-font-family:Calibri;
1197        mso-hansi-theme-font:minor-latin;}
1198table.MsoTableGrid
1199        {mso-style-name:"Table Grid";
1200        mso-tstyle-rowband-size:0;
1201        mso-tstyle-colband-size:0;
1202        mso-style-priority:59;
1203        mso-style-unhide:no;
1204        border:solid windowtext 1.0pt;
1205        mso-border-alt:solid windowtext .5pt;
1206        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1207        mso-border-insideh:.5pt solid windowtext;
1208        mso-border-insidev:.5pt solid windowtext;
1209        mso-para-margin:0in;
1210        mso-para-margin-bottom:.0001pt;
1211        mso-pagination:widow-orphan;
1212        font-size:10.0pt;
1213        font-family:"Calibri",sans-serif;
1214        mso-ascii-font-family:Calibri;
1215        mso-ascii-theme-font:minor-latin;
1216        mso-hansi-font-family:Calibri;
1217        mso-hansi-theme-font:minor-latin;}
1218</style>
1219<![endif]--><!--[if gte mso 9]><xml>
1220 <o:shapedefaults v:ext="edit" spidmax="2049"/>
1221</xml><![endif]--><!--[if gte mso 9]><xml>
1222 <o:shapelayout v:ext="edit">
1223  <o:idmap v:ext="edit" data="1"/>
1224 </o:shapelayout></xml><![endif]-->
1225</head>
1226
1227<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1228
1229<div class=WordSection1>
1230
1231<h1>Stacking Fault Simulations – I</h1>
1232
1233<p class=MsoNormal>In this exercise you will use GSAS-II to simulate the
1234diffraction patterns from faulted diamond. Diamond most commonly has the
1235well-known cubic structure with the space group Fd3m and a=3.5668A. The C-atom
1236is at 1/8,1/8,1/8 and can be viewed as a cubic stacking of ruffled hexagonal
1237nets along the cubic cell 111 diagonal. </p>
1238
1239<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1240 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1241 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1242 <v:stroke joinstyle="miter"/>
1243 <v:formulas>
1244  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1245  <v:f eqn="sum @0 1 0"/>
1246  <v:f eqn="sum 0 0 @1"/>
1247  <v:f eqn="prod @2 1 2"/>
1248  <v:f eqn="prod @3 21600 pixelWidth"/>
1249  <v:f eqn="prod @3 21600 pixelHeight"/>
1250  <v:f eqn="sum @0 0 1"/>
1251  <v:f eqn="prod @6 1 2"/>
1252  <v:f eqn="prod @7 21600 pixelWidth"/>
1253  <v:f eqn="sum @8 21600 0"/>
1254  <v:f eqn="prod @7 21600 pixelHeight"/>
1255  <v:f eqn="sum @10 21600 0"/>
1256 </v:formulas>
1257 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1258 <o:lock v:ext="edit" aspectratio="t"/>
1259</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1052" type="#_x0000_t75"
1260 style='width:361.5pt;height:270.75pt;visibility:visible;mso-wrap-style:square'>
1261 <v:imagedata src="Stacking%20Faults-I_files/image001.jpg" o:title=""/>
1262</v:shape><![endif]--><![if !vml]><img width=482 height=361
1263src="Stacking%20Faults-I_files/image002.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
1264
1265<p class=MsoNormal>The structure of lonsdaleite has those layers stacked
1266hexagonally and thus a faulted diamond structure may occasionally have
1267hexagonal stacked layers instead of all cubic ones. From geometric
1268considerations, these planar stacking faults must extend across the entire
1269crystal. If there are only a few such faults in a crystal then the diffraction
1270pattern will show two cubic diamond patterns in a twin law relationship.
1271Otherwise, if there are many such faults then the diffraction pattern will show
1272streaks. To simulate the streaks one must first develop a model for the
1273hexagonal net of C-atoms and then show how they stack in either the cubic or
1274hexagonal forms. GSAS-II uses a suite of subroutines from the DIFFaX program
1275(M.M.J. Treacy, J.M. Newsam &amp; M.W. Deem, (1991), Proc. Roy. Soc. Lond.
1276433A, 499-520) to calculate the diffraction pattern via a general recursion
1277algorithm and a randomized set of stacked layers. NB: this calculation can be
1278quite time consuming particularly if unreasonable demands are made on it. </p>
1279
1280<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1281
1282<h2>Simulation 1. Selected area diffraction for random faults in diamond</h2>
1283
1284<p class=MsoNormal>To begin we must have a phase to work with. In the main
1285GSAS-II data tree menu do <b style='mso-bidi-font-weight:normal'><span
1286style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1287mso-hansi-theme-font:minor-latin'>Data/Add new phase</span></b>; a popup window
1288will appear inviting you to name the phase. I entered <b style='mso-bidi-font-weight:
1289normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1290minor-latin;mso-hansi-theme-font:minor-latin'>‘random faults</span></b>’. Then
1291find this phase in the data tree under phases and select it; the data window
1292will display the default for the General tab.</p>
1293
1294<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1295 id="Picture_x0020_2" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:465pt;
1296 height:250.5pt;visibility:visible;mso-wrap-style:square'>
1297 <v:imagedata src="Stacking%20Faults-I_files/image003.png" o:title=""/>
1298</v:shape><![endif]--><![if !vml]><img width=620 height=334
1299src="Stacking%20Faults-I_files/image004.gif" v:shapes="Picture_x0020_2"><![endif]></span></p>
1300
1301<p class=MsoNormal>Change the phase type to ‘<b style='mso-bidi-font-weight:
1302normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1303minor-latin;mso-hansi-theme-font:minor-latin'>faulted</span></b>’; the window
1304will be redrawn and a new tab (‘<b style='mso-bidi-font-weight:normal'><span
1305style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1306mso-hansi-theme-font:minor-latin'>Layers</span></b>’) will appear. Select it.
1307Then save the project; I called it ‘<b style='mso-bidi-font-weight:normal'><span
1308style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1309mso-hansi-theme-font:minor-latin'>diamond</span></b>’.</p>
1310
1311<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1312 id="Picture_x0020_3" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:468pt;
1313 height:277.5pt;visibility:visible;mso-wrap-style:square'>
1314 <v:imagedata src="Stacking%20Faults-I_files/image005.png" o:title=""/>
1315</v:shape><![endif]--><![if !vml]><img width=624 height=370
1316src="Stacking%20Faults-I_files/image006.gif" v:shapes="Picture_x0020_3"><![endif]></span></p>
1317
1318<p class=MsoNormal>First you need to describe the reference unit cell for the
1319stacking model. The cubic/hexagonal stacking in diamond is with layers
1320perpendicular to the 111 axis. This will become the new c-axis. The a- &amp;
1321b-axes are for the hexagonal net of C-atoms that are stacked in this structure.
1322One can also anticipate that the resulting diffraction pattern will have
1323hexagonal <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1324mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>6/mmm</span></b>
1325symmetry so first select this from the pull down box neat the top of the page;
1326the window will be redrawn.</p>
1327
1328<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1329 id="Picture_x0020_4" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:468pt;
1330 height:348pt;visibility:visible;mso-wrap-style:square'>
1331 <v:imagedata src="Stacking%20Faults-I_files/image007.png" o:title=""/>
1332</v:shape><![endif]--><![if !vml]><img width=624 height=464
1333src="Stacking%20Faults-I_files/image008.gif" v:shapes="Picture_x0020_4"><![endif]></span></p>
1334
1335<p class=MsoNormal>The a cell parameter for diamond stacking can be assumed to
1336be a<!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span
1337 style='font-family:"Cambria Math",serif'><m:r>/&#8730;2</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span
1338style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1339"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1340top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1341EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1342 type="#_x0000_t75" style='width:20.25pt;height:15.75pt'>
1343 <v:imagedata src="Stacking%20Faults-I_files/image009.png" o:title=""
1344  chromakey="white"/>
1345</v:shape><![endif]--><![if !vml]><img width=27 height=21
1346src="Stacking%20Faults-I_files/image010.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
1347style='mso-spacerun:yes'> </span>= <b style='mso-bidi-font-weight:normal'><span
1348style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1349mso-hansi-theme-font:minor-latin'>2.522</span></b> and the c cell parameter is
1350a<!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span
1351 style='font-family:"Cambria Math",serif'><m:r>/&#8730;3</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span
1352style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
1353"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
1354top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
1355EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
1356 type="#_x0000_t75" style='width:20.25pt;height:15.75pt'>
1357 <v:imagedata src="Stacking%20Faults-I_files/image011.png" o:title=""
1358  chromakey="white"/>
1359</v:shape><![endif]--><![if !vml]><img width=27 height=21
1360src="Stacking%20Faults-I_files/image012.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
1361style='mso-spacerun:yes'> </span>= <b style='mso-bidi-font-weight:normal'><span
1362style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1363mso-hansi-theme-font:minor-latin'>2.059</span></b> since there are 3 layers
1364along the 111 diamond cell diagonal. Enter these in the appropriate places; the
1365cell volume will be revised.</p>
1366
1367<p class=MsoNormal>Now we have to describe the two hexagonal nets that will be
1368stacked for either cubic or hexagonal stacking. Select <b style='mso-bidi-font-weight:
1369normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1370minor-latin;mso-hansi-theme-font:minor-latin'>Add new layer?</span></b> the
1371window will be redrawn.</p>
1372
1373<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1374 id="Picture_x0020_5" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:468pt;
1375 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1376 <v:imagedata src="Stacking%20Faults-I_files/image013.png" o:title=""/>
1377</v:shape><![endif]--><![if !vml]><img width=624 height=479
1378src="Stacking%20Faults-I_files/image014.gif" v:shapes="Picture_x0020_5"><![endif]></span></p>
1379
1380<p class=MsoNormal>Name the layer (I chose ‘<b style='mso-bidi-font-weight:
1381normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1382minor-latin;mso-hansi-theme-font:minor-latin'>layer 1</span></b>’) and choose <b
1383style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1384mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>‘-1</span></b>’
1385for the layer symmetry. The window will be redrawn after changing the name.
1386Next, select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1387"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1388minor-latin'>Add atom?</span></b> and the window will be redrawn with one line in
1389the layer table.</p>
1390
1391<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1392 id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:468pt;
1393 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1394 <v:imagedata src="Stacking%20Faults-I_files/image015.png" o:title=""/>
1395</v:shape><![endif]--><![if !vml]><img width=624 height=479
1396src="Stacking%20Faults-I_files/image016.gif" v:shapes="Picture_x0020_6"><![endif]></span></p>
1397
1398<p class=MsoNormal>To make this a C-atom select the ‘<b style='mso-bidi-font-weight:
1399normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1400minor-latin;mso-hansi-theme-font:minor-latin'>Unk</span></b>’ under Type with a
1401double click; a Periodic table will popup. Select <b style='mso-bidi-font-weight:
1402normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1403minor-latin;mso-hansi-theme-font:minor-latin'>C</span></b>; the popup will
1404disappear and the window will be redrawn. The coordinates of this C-atom in the
1405new stacking unit cell is <b style='mso-bidi-font-weight:normal'><span
1406style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1407mso-hansi-theme-font:minor-latin'>-1/3,-1/6,-1/8</span></b>; you may enter
1408these as fractions. Select a table item to complete the entry; the window
1409should show the new position.</p>
1410
1411<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1412 id="Picture_x0020_8" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:468pt;
1413 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1414 <v:imagedata src="Stacking%20Faults-I_files/image017.png" o:title=""/>
1415</v:shape><![endif]--><![if !vml]><img width=624 height=479
1416src="Stacking%20Faults-I_files/image018.gif" v:shapes="Picture_x0020_8"><![endif]></span></p>
1417
1418<p class=MsoNormal>You can draw the layer to see what it looks like; select <b
1419style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1420mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Draw layer?</span></b>
1421and the drawing will appear.<span style='mso-no-proof:yes'> <!--[if gte vml 1]><v:shape
1422 id="Picture_x0020_10" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:364.5pt;
1423 height:272.25pt;visibility:visible;mso-wrap-style:square'>
1424 <v:imagedata src="Stacking%20Faults-I_files/image019.jpg" o:title=""/>
1425</v:shape><![endif]--><![if !vml]><img width=486 height=363
1426src="Stacking%20Faults-I_files/image020.jpg" v:shapes="Picture_x0020_10"><![endif]><o:p></o:p></span></p>
1427
1428<p class=MsoNormal><span style='mso-no-proof:yes'>A unit cell box is drawn with
1429a 5x5 suite of unit cells; the ruffled hexagonal net perpendicular to the
1430c-axis (blue line) is clear.<o:p></o:p></span></p>
1431
1432<p class=MsoNormal><span style='mso-no-proof:yes'>Now we need a second layer;
1433repeat the steps for making a layer using </span><b style='mso-bidi-font-weight:
1434normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1435minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>1/3,1/6,-1/8</span></b><span
1436style='mso-no-proof:yes'> for the C-atom position with </span><b
1437style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1438mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1439yes'>-1</span></b><span style='mso-no-proof:yes'> for the layer symmetry. The
1440window should look like this when done.<o:p></o:p></span></p>
1441
1442<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1443 id="Picture_x0020_11" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:468pt;
1444 height:468pt;visibility:visible;mso-wrap-style:square'>
1445 <v:imagedata src="Stacking%20Faults-I_files/image021.png" o:title=""/>
1446</v:shape><![endif]--><![if !vml]><img width=624 height=624
1447src="Stacking%20Faults-I_files/image022.gif" v:shapes="Picture_x0020_11"><![endif]></span></p>
1448
1449<p class=MsoNormal>I’ve stretched it a bit to show the Layer-Layer transition
1450probabilities. Change <b style='mso-bidi-font-weight:normal'><span
1451style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1452mso-hansi-theme-font:minor-latin'>Dz</span></b> for each entry to <b
1453style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1454mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0</span></b>
1455to properly space out the stacked layers. If you select the first box in the
1456plot column for layer 1 you will see the two layers stacked but in a way
1457reminiscent of how carbon sheets stack in graphite. </p>
1458
1459<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1460 id="Picture_x0020_12" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:359.25pt;
1461 height:268.5pt;visibility:visible;mso-wrap-style:square'>
1462 <v:imagedata src="Stacking%20Faults-I_files/image023.jpg" o:title=""/>
1463</v:shape><![endif]--><![if !vml]><img width=479 height=358
1464src="Stacking%20Faults-I_files/image024.jpg" v:shapes="Picture_x0020_12"><![endif]></span></p>
1465
1466<p class=MsoNormal>Clearly not diamond stacking. The table defines how the next
1467layer is displaced relative to the reference layer. You can shift this layer by
1468using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1469mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>X,Y,Z</span></b>
1470&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1471mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>shift-X,Y,Z</span></b>
1472keys; the plot will be redrawn and the table entry updated each time you shift
1473the layer. When you get to the right offset for diamond additional bonds will
1474appear connecting the layers together. The correct shift is <b
1475style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1476mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dx=2/3</span></b>,
1477<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1478mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dy=1/3</span></b>
1479and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1480mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dz=1.0</span></b>
1481for the layer 1 to layer 1 transition and for layer 2 to layer 2 the shifts are
1482<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1483mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dx=-2/3</span></b>,
1484<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1485mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dy=-1/3</span></b>
1486and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1487mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dz=1.0</span></b>.
1488For the remaining layer 1-layer 2 and <i style='mso-bidi-font-style:normal'>vice
1489versa</i> transitions <b style='mso-bidi-font-weight:normal'><span
1490style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1491mso-hansi-theme-font:minor-latin'>Dx=Dy=0</span></b>. Layer 1 to layer 1
1492stacking looks like.</p>
1493
1494<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1495 id="Picture_x0020_13" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:357.75pt;
1496 height:267.75pt;visibility:visible;mso-wrap-style:square'>
1497 <v:imagedata src="Stacking%20Faults-I_files/image025.jpg" o:title=""/>
1498</v:shape><![endif]--><![if !vml]><img width=477 height=357
1499src="Stacking%20Faults-I_files/image026.jpg" v:shapes="Picture_x0020_13"><![endif]></span></p>
1500
1501<p class=MsoNormal>You can explore the result of various stacking sequences in
1502the next block of commands; enter <b style='mso-bidi-font-weight:normal'><span
1503style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1504mso-hansi-theme-font:minor-latin'>1 1 1 1 2 2 2 2</span></b> into the box and
1505press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1506mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Enter</span></b>.
1507A plot showing the result of a single twin fault will be shown.</p>
1508
1509<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1510 id="Picture_x0020_14" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:362.25pt;
1511 height:270.75pt;visibility:visible;mso-wrap-style:square'>
1512 <v:imagedata src="Stacking%20Faults-I_files/image027.jpg" o:title=""/>
1513</v:shape><![endif]--><![if !vml]><img width=483 height=361
1514src="Stacking%20Faults-I_files/image028.jpg" v:shapes="Picture_x0020_14"><![endif]></span></p>
1515
1516<p class=MsoNormal>If you enter 1 2 1 2 1 2 1 2 then the structure of
1517lonsdaleite will be shown; 1 1 1 1 1 1 or 2 2 2 2 2 2 gives the diamond
1518structure. </p>
1519
1520<p class=MsoNormal>Finally we must select transition probabilities; they should
1521sum to 1.0 for each block. Use <b style='mso-bidi-font-weight:normal'><span
1522style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1523mso-hansi-theme-font:minor-latin'>0.7</span></b> for layer 1 to layer 1 and
1524layer 2 to layer 2; the cross terms are then <b style='mso-bidi-font-weight:
1525normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1526minor-latin;mso-hansi-theme-font:minor-latin'>0.3</span></b> to give</p>
1527
1528<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1529 id="Picture_x0020_15" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:468pt;
1530 height:336pt;visibility:visible;mso-wrap-style:square'>
1531 <v:imagedata src="Stacking%20Faults-I_files/image029.png" o:title=""/>
1532</v:shape><![endif]--><![if !vml]><img width=624 height=448
1533src="Stacking%20Faults-I_files/image030.gif" v:shapes="Picture_x0020_15"><![endif]></span></p>
1534
1535<p class=MsoNormal>We are now ready to do a single crystal simulation; select <b
1536style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1537mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Simulate
1538pattern</span></b> from the Phase data window menu. A small popup will appear</p>
1539
1540<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1541 id="Picture_x0020_16" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:209.25pt;
1542 height:102pt;visibility:visible;mso-wrap-style:square'>
1543 <v:imagedata src="Stacking%20Faults-I_files/image031.png" o:title=""/>
1544</v:shape><![endif]--><![if !vml]><img width=279 height=136
1545src="Stacking%20Faults-I_files/image032.gif" v:shapes="Picture_x0020_16"><![endif]></span></p>
1546
1547<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1548style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1549mso-hansi-theme-font:minor-latin'>selected area</span></b> for the calculation
1550type; the popup will be redrawn with new options.</p>
1551
1552<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1553 id="Picture_x0020_17" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:181.5pt;
1554 height:102pt;visibility:visible;mso-wrap-style:square'>
1555 <v:imagedata src="Stacking%20Faults-I_files/image033.png" o:title=""/>
1556</v:shape><![endif]--><![if !vml]><img width=242 height=136
1557src="Stacking%20Faults-I_files/image034.gif" v:shapes="Picture_x0020_17"><![endif]></span></p>
1558
1559<p class=MsoNormal>To make it interesting select <b style='mso-bidi-font-weight:
1560normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1561minor-latin;mso-hansi-theme-font:minor-latin'>Max. l index</span></b> of <b
1562style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1563mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>6</span></b>
1564and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1565mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>.
1566Very quickly a new popup will appear letting you know the simulation is
1567finished; press <b style='mso-bidi-font-weight:normal'><span style='font-family:
1568"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1569minor-latin'>Ok</span></b>. The data window will be redrawn</p>
1570
1571<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1572 id="Picture_x0020_18" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468pt;
1573 height:355.5pt;visibility:visible;mso-wrap-style:square'>
1574 <v:imagedata src="Stacking%20Faults-I_files/image035.png" o:title=""/>
1575</v:shape><![endif]--><![if !vml]><img width=624 height=474
1576src="Stacking%20Faults-I_files/image036.gif" v:shapes="Picture_x0020_18"><![endif]></span></p>
1577
1578<p class=MsoNormal>At the top is a new item <b style='mso-bidi-font-weight:
1579normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1580minor-latin;mso-hansi-theme-font:minor-latin'>Plot selected area diffraction?</span></b>
1581Select it and a new plot will appear. The intensity scale is adjusted by
1582pressing <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1583mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>D</span></b>
1584(or <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1585mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>U</span></b>);
1586I got</p>
1587
1588<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1589 id="_x0000_i1036" type="#_x0000_t75" style='width:363pt;height:341.25pt;
1590 visibility:visible;mso-wrap-style:square'>
1591 <v:imagedata src="Stacking%20Faults-I_files/image037.png" o:title=""/>
1592</v:shape><![endif]--><![if !vml]><img width=484 height=455
1593src="Stacking%20Faults-I_files/image038.gif" v:shapes="_x0000_i1036"><![endif]></span></p>
1594
1595<p class=MsoNormal>The streaking intermixed with sharp spots is clearly obvious
1596in this plot. Save this project; you’ll need it for the next simulation.</p>
1597
1598<h2>Simulation 2. Laboratory powder diffraction simulation for random faults in
1599diamond</h2>
1600
1601<p class=MsoNormal>The setup for a powder pattern simulation is the same as
1602above for selected are diffraction with one crucial difference. We need a dummy
1603powder pattern to define the simulation limits. Using the same project as
1604above, do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1605mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Import/Powder
1606data/Simulate a data set</span></b> from the main GSAS-II data tree window. A
1607popup will appear requesting the selection of an instrument parameter file;
1608here we will use one of the built in defaults. Press <b style='mso-bidi-font-weight:
1609normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1610minor-latin;mso-hansi-theme-font:minor-latin'>Cancel</span></b> and a new popup
1611will appear offering some choices.</p>
1612
1613<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1614 id="_x0000_i1035" type="#_x0000_t75" style='width:241.5pt;height:201pt;
1615 visibility:visible;mso-wrap-style:square'>
1616 <v:imagedata src="Stacking%20Faults-I_files/image039.png" o:title=""/>
1617</v:shape><![endif]--><![if !vml]><img width=322 height=268
1618src="Stacking%20Faults-I_files/image040.gif" v:shapes="_x0000_i1035"><![endif]></span></p>
1619
1620<p class=MsoNormal>Use the first one for <b style='mso-bidi-font-weight:normal'><span
1621style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1622mso-hansi-theme-font:minor-latin'>CuKa lab data</span></b>; a new popup will
1623appear</p>
1624
1625<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1626 id="Picture_x0020_19" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:238.5pt;
1627 height:256.5pt;visibility:visible;mso-wrap-style:square'>
1628 <v:imagedata src="Stacking%20Faults-I_files/image041.png" o:title=""/>
1629</v:shape><![endif]--><![if !vml]><img width=318 height=342
1630src="Stacking%20Faults-I_files/image042.gif" v:shapes="Picture_x0020_19"><![endif]></span></p>
1631
1632<p class=MsoNormal>Change the end angle to <b style='mso-bidi-font-weight:normal'><span
1633style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1634mso-hansi-theme-font:minor-latin'>150</span></b> and the step size to <b
1635style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1636mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.02</span></b>;
1637press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1638mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>
1639and choose <b style='mso-bidi-font-weight:normal'><span style='font-family:
1640"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1641minor-latin'>random faults </span></b>(your phase name). Notice the small data
1642window lets you know that you can clear the observed intensities in the
1643simulation by doing an <b style='mso-bidi-font-weight:normal'><span
1644style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1645mso-hansi-theme-font:minor-latin'>Edit range</span></b> (no need to change
1646anything). The tree will have a new item <b style='mso-bidi-font-weight:normal'><span
1647style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1648mso-hansi-theme-font:minor-latin'>PWDR CW x-ray simulation</span></b>. Select <b
1649style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1650mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1651&amp; enter <b style='mso-bidi-font-weight:normal'><span style='font-family:
1652"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1653minor-latin'>50</span></b> for the 1<sup>st</sup> coefficient. Next select <b
1654style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1655mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample
1656parameters</span></b> and enter <b style='mso-bidi-font-weight:normal'><span
1657style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1658mso-hansi-theme-font:minor-latin'>1000</span></b> for the <b style='mso-bidi-font-weight:
1659normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1660minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b>
1661and change the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1662"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1663minor-latin'>Diffractometer type</span></b> to <b style='mso-bidi-font-weight:
1664normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1665minor-latin;mso-hansi-theme-font:minor-latin'>Bragg-Brentano</span></b>.
1666Finally, find your phase (<b style='mso-bidi-font-weight:normal'><span
1667style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1668mso-hansi-theme-font:minor-latin'>random faults</span></b>) and select it and
1669then the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1670mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Layers</span></b>
1671tab. It should be unchanged from when the selected area simulation was
1672finished.</p>
1673
1674<p class=MsoNormal>To do the simulation do <b style='mso-bidi-font-weight:normal'><span
1675style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1676mso-hansi-theme-font:minor-latin'>Operations/Simulate pattern</span></b> and
1677press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1678mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>
1679from the popup. The calculated pattern will by default be broadened using U, V,
1680&amp; W from the Instrument parameters for the chosen powder pattern. Other
1681choices use a mean Gaussian broadening (faster) or no broadening (even faster).
1682The only choice for the pattern is given in the next popup; press <b
1683style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1684mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>
1685and the simulation will proceed. After a few seconds a small popup will appear
1686letting you know it is done; press <b style='mso-bidi-font-weight:normal'><span
1687style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1688mso-hansi-theme-font:minor-latin'>Ok</span></b> and the powder pattern will be displayed
1689with the result. On the plot press the ‘<b style='mso-bidi-font-weight:normal'><span
1690style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1691mso-hansi-theme-font:minor-latin'>+</span></b>’ key to suppress the ‘+’ marks.
1692The plot should look like: I’ve expanded the scale to show the interesting
1693stuff around each peak.</p>
1694
1695<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1696 id="Picture_x0020_20" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt;
1697 height:440.25pt;visibility:visible;mso-wrap-style:square'>
1698 <v:imagedata src="Stacking%20Faults-I_files/image043.png" o:title=""/>
1699</v:shape><![endif]--><![if !vml]><img width=624 height=587
1700src="Stacking%20Faults-I_files/image044.gif" v:shapes="Picture_x0020_20"><![endif]></span></p>
1701
1702<p class=MsoNormal>The blue line is a simulated observed pattern with imposed
1703Poisson noise, the red line is the calculated background and the green curve is
1704the smooth calculated pattern. A difference curve is also shown. You can play
1705with changing the transition probabilities and/or the layer offsets to see what
1706effect these have on the pattern; changing these will change the calculated
1707pattern unless you reset the dummy profile as noted above.</p>
1708
1709<h2>Simulation 3. Sequential parameter change</h2>
1710
1711<p class=MsoNormal>A perhaps useful means of exploring the effects of changing
1712stacking parameters is doing a sequence of simulations varying one parameter
1713over a range. To try this out do Operations/Sequence simulations from the
1714Layers menu; a popup will appear</p>
1715
1716<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1717 id="Picture_x0020_21" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:209.25pt;
1718 height:143.25pt;visibility:visible;mso-wrap-style:square'>
1719 <v:imagedata src="Stacking%20Faults-I_files/image045.png" o:title=""/>
1720</v:shape><![endif]--><![if !vml]><img width=279 height=191
1721src="Stacking%20Faults-I_files/image046.gif" v:shapes="Picture_x0020_21"><![endif]></span></p>
1722
1723<p class=MsoNormal>Here you select the parameter, range and number of steps
1724(both ends will be used). From the <b style='mso-bidi-font-weight:normal'><span
1725style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1726mso-hansi-theme-font:minor-latin'>Select parameter</span></b> pulldown choose <b
1727style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1728mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>TransP;0;0</span></b>;
1729this is the layer 1 to layer 1 transition probability. Then change the no.
1730steps to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1731mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>10</span></b>
1732(11 will be calculated). We have the same choices for instrument broadening as
1733above; use the default. Press <b style='mso-bidi-font-weight:normal'><span
1734style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1735mso-hansi-theme-font:minor-latin'>Ok</span></b>; the next popup allows
1736selection of a powder pattern (e.g. for comparison and the range for the
1737calculation). Press <b style='mso-bidi-font-weight:normal'><span
1738style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1739mso-hansi-theme-font:minor-latin'>Ok</span></b> for this one; the sequential
1740simulation will proceed. The console displays progress and the transition
1741matrix for each step. A popup will appear when the sequence is finished after
1742several seconds. Notice that the matrix is not symmetric so that layer1 to
1743layer 1 probability is not the same as layer 2 to layer 2 at each step in the
1744simulation. We can force this by selecting <b style='mso-bidi-font-weight:normal'><span
1745style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1746mso-hansi-theme-font:minor-latin'>Symmetric probabilities?</span></b> on the
1747Layers page. Do this and repeat the sequential simulation as above. Now the
1748matrices are symmetric as one could expect. When the simulation is finished,
1749select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1750"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1751minor-latin'>Plot sequential result?</span></b> box; a new plot will appear.</p>
1752
1753<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1754 id="Picture_x0020_22" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt;
1755 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1756 <v:imagedata src="Stacking%20Faults-I_files/image047.png" o:title=""/>
1757</v:shape><![endif]--><![if !vml]><img width=624 height=535
1758src="Stacking%20Faults-I_files/image048.gif" v:shapes="Picture_x0020_22"><![endif]></span></p>
1759
1760<p class=MsoNormal>This is a multiline plot; you can shift the lines with the <b
1761style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1762mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>U,D,L,R</span></b>
1763keys (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1764mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b>
1765resets offsets to zero). I’ve done this for the next plot.</p>
1766
1767<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1768 id="Picture_x0020_23" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:468pt;
1769 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1770 <v:imagedata src="Stacking%20Faults-I_files/image049.png" o:title=""/>
1771</v:shape><![endif]--><![if !vml]><img width=624 height=535
1772src="Stacking%20Faults-I_files/image050.gif" v:shapes="Picture_x0020_23"><![endif]></span></p>
1773
1774<p class=MsoNormal>The first blue line is for pure hexagonal lonsdaleite
1775stacking and the last magenta line is for pure cubic diamond stacking. You can
1776see how some lines quickly vanish with the introduction of stacking faults
1777while other persist across the entire sequence. This is a good place to save
1778your project file; the sequential result will be included.</p>
1779
1780<h2>Simulation 4. Modelling clustering in diamond</h2>
1781
1782<p class=MsoNormal>In this simulation we will explore the possibility that the
1783stacking history affects the probability of a fault. In the case of diamond, a
1784fault to form lonsdaleite could be followed by similar layers until a lower
1785probability fault converts the structure back to diamond. The crystal then has
1786blocks of diamond structure interleaved with blocks of lonsdaleite. This is
1787best done in a new phase so we don’t mess up the above simulations, but most of
1788the data in the current phase is useful for the cluster model. The easiest way
1789is to import the new phase from the current project. <b style='mso-bidi-font-weight:
1790normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1791minor-latin;mso-hansi-theme-font:minor-latin'>Do Import/Phase/from GSAS-II gpx
1792file</span></b> from the main GSAS-II data tree menu. A file selection dialog
1793box will appear; select the current project file (<b style='mso-bidi-font-weight:
1794normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1795minor-latin;mso-hansi-theme-font:minor-latin'>diamond.gpx</span></b>) and press
1796<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1797mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>.
1798A small popup will appear confirming your choice; press <b style='mso-bidi-font-weight:
1799normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1800minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>. The next popup
1801offers the change to name the phase, I chose <b style='mso-bidi-font-weight:
1802normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1803minor-latin;mso-hansi-theme-font:minor-latin'>clustered</span></b> for the
1804name. Next select the PWDR data set to be linked to this phase. The General tab
1805for the new phase will appear.</p>
1806
1807<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1808 id="Picture_x0020_24" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:468pt;
1809 height:252pt;visibility:visible;mso-wrap-style:square'>
1810 <v:imagedata src="Stacking%20Faults-I_files/image051.png" o:title=""/>
1811</v:shape><![endif]--><![if !vml]><img width=624 height=336
1812src="Stacking%20Faults-I_files/image052.gif" v:shapes="Picture_x0020_24"><![endif]></span></p>
1813
1814<p class=MsoNormal>Notice that the Phase type is faulted and that Layers is one
1815of the tabs; select it.</p>
1816
1817<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1818 id="Picture_x0020_26" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468pt;
1819 height:355.5pt;visibility:visible;mso-wrap-style:square'>
1820 <v:imagedata src="Stacking%20Faults-I_files/image053.png" o:title=""/>
1821</v:shape><![endif]--><![if !vml]><img width=624 height=474
1822src="Stacking%20Faults-I_files/image054.gif" v:shapes="Picture_x0020_26"><![endif]></span></p>
1823
1824<p class=MsoNormal>This is all the same information as for the random faults
1825phase. To simulate clustering we need two new layers which are the same as
1826these two listed here. Do <b style='mso-bidi-font-weight:normal'><span
1827style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1828mso-hansi-theme-font:minor-latin'>Add new layer?</span></b> twice so two new
1829layers appear. Name them <b style='mso-bidi-font-weight:normal'><span
1830style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1831mso-hansi-theme-font:minor-latin'>layer 3</span></b> and <b style='mso-bidi-font-weight:
1832normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1833minor-latin;mso-hansi-theme-font:minor-latin'>layer 4</span></b>. Make layer 3 <b
1834style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1835mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Same as
1836layer</span></b> 1 (select from the pull down) and layer 4 <b style='mso-bidi-font-weight:
1837normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1838minor-latin;mso-hansi-theme-font:minor-latin'>Same as layer 2</span></b>. Each
1839time the window is redrawn so that the transition probability tables reflect
1840these changes. You should also change the <b style='mso-bidi-font-weight:normal'><span
1841style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1842mso-hansi-theme-font:minor-latin'>Diffraction Laue symmetry</span></b> to <b
1843style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1844mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-3m</span></b>.
1845When you are done the upper part of the Layers window should look like.</p>
1846
1847<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1848
1849<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1850
1851<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1852 id="Picture_x0020_28" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;
1853 height:355.5pt;visibility:visible;mso-wrap-style:square'>
1854 <v:imagedata src="Stacking%20Faults-I_files/image055.png" o:title=""/>
1855</v:shape><![endif]--><![if !vml]><img width=624 height=474
1856src="Stacking%20Faults-I_files/image056.gif" v:shapes="Picture_x0020_28"><![endif]></span></p>
1857
1858<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1859
1860<p class=MsoNormal>The transition vectors for the cluster model are similar to
1861the random faults model, i.e. layer 1-1 and layer 3-1 transitions are <b
1862style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1863mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2/3,1/3,1</span></b>
1864for Dx, Dy &amp; Dz, layer, and layer 2-4 and 4-4 transitions are <b
1865style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1866mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-2/3,-1/3,1</span></b>
1867for Dx, Dy &amp; Dz. All the rest are <b style='mso-bidi-font-weight:normal'><span
1868style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1869mso-hansi-theme-font:minor-latin'>0,0,1</span></b> for Dx,,Dy &amp; Dz. The
1870probabilities can best be seen from the following array</p>
1871
1872<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1873
1874<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0
1875 style='border-collapse:collapse;border:none;mso-border-alt:solid windowtext .5pt;
1876 mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'>
1877 <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes;height:21.45pt'>
1878  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1879  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1880  <p class=MsoNormal>Layer</p>
1881  </td>
1882  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1883  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1884  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1885  <p class=MsoNormal>1</p>
1886  </td>
1887  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1888  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1889  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1890  <p class=MsoNormal>2</p>
1891  </td>
1892  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1893  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1894  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1895  <p class=MsoNormal>3</p>
1896  </td>
1897  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1898  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1899  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1900  <p class=MsoNormal>4</p>
1901  </td>
1902 </tr>
1903 <tr style='mso-yfti-irow:1;height:21.45pt'>
1904  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1905  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1906  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1907  <p class=MsoNormal>1</p>
1908  </td>
1909  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1910  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1911  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1912  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1913  <p class=MsoNormal>CS</p>
1914  </td>
1915  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1916  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1917  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1918  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1919  <p class=MsoNormal>CF</p>
1920  </td>
1921  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1922  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1923  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1924  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1925  <p class=MsoNormal>x</p>
1926  </td>
1927  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1928  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1929  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1930  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1931  <p class=MsoNormal>x</p>
1932  </td>
1933 </tr>
1934 <tr style='mso-yfti-irow:2;height:21.45pt'>
1935  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1936  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1937  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1938  <p class=MsoNormal>2</p>
1939  </td>
1940  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1941  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1942  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1943  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1944  <p class=MsoNormal>x</p>
1945  </td>
1946  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1947  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1948  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1949  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1950  <p class=MsoNormal>x</p>
1951  </td>
1952  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1953  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1954  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1955  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1956  <p class=MsoNormal>HS</p>
1957  </td>
1958  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1959  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1960  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1961  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1962  <p class=MsoNormal>HF</p>
1963  </td>
1964 </tr>
1965 <tr style='mso-yfti-irow:3;height:21.45pt'>
1966  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1967  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1968  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1969  <p class=MsoNormal>3</p>
1970  </td>
1971  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1972  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1973  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1974  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1975  <p class=MsoNormal>HF</p>
1976  </td>
1977  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1978  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1979  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1980  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1981  <p class=MsoNormal>HS</p>
1982  </td>
1983  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1984  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1985  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1986  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1987  <p class=MsoNormal>x</p>
1988  </td>
1989  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
1990  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1991  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1992  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
1993  <p class=MsoNormal>x</p>
1994  </td>
1995 </tr>
1996 <tr style='mso-yfti-irow:4;mso-yfti-lastrow:yes;height:21.45pt'>
1997  <td width=72 valign=top style='width:54.05pt;border:solid windowtext 1.0pt;
1998  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1999  padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2000  <p class=MsoNormal>4</p>
2001  </td>
2002  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2003  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2004  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2005  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2006  <p class=MsoNormal>x</p>
2007  </td>
2008  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2009  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2010  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2011  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2012  <p class=MsoNormal>x</p>
2013  </td>
2014  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2015  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2016  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2017  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2018  <p class=MsoNormal>CF</p>
2019  </td>
2020  <td width=72 valign=top style='width:54.05pt;border-top:none;border-left:
2021  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
2022  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
2023  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:21.45pt'>
2024  <p class=MsoNormal>CS</p>
2025  </td>
2026 </tr>
2027</table>
2028
2029<p class=MsoNormal>Where CS – cubic stacking, CF – cubic fault, HS – hexagonal
2030stacking, HF – hexagonal fault and x – not allowed. A suitable model might be
2031CS = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2032mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.9</span></b>,
2033CF = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2034mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.1</span></b>,
2035HS = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2036mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.8</span></b>
2037and HF = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2038mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.2</span></b>.
2039This will give more and thicker cubic blocks than hexagonal ones. Set these
2040values and the Transition tables should look like</p>
2041
2042<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2043 id="Picture_x0020_29" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468pt;
2044 height:465pt;visibility:visible;mso-wrap-style:square'>
2045 <v:imagedata src="Stacking%20Faults-I_files/image057.png" o:title=""/>
2046</v:shape><![endif]--><![if !vml]><img width=624 height=620
2047src="Stacking%20Faults-I_files/image058.gif" v:shapes="Picture_x0020_29"><![endif]></span></p>
2048
2049<p class=MsoNormal>Before doing the simulation we need to clear away the old
2050one; select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2051"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2052minor-latin'>PWDR</span></b> entry from the GSAS-II data tree and then select <b
2053style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2054mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit range</span></b>
2055from the data window. Don’t change anything, just press <b style='mso-bidi-font-weight:
2056normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2057minor-latin;mso-hansi-theme-font:minor-latin'>Ok</span></b>; this will clear
2058the previous simulation. Then return to the clustered phase Layers tab. Do <b
2059style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2060mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Simulate
2061pattern</span></b> and press <b style='mso-bidi-font-weight:normal'><span
2062style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2063mso-hansi-theme-font:minor-latin'>Ok</span></b> twice. The simulation will
2064require some seconds to finish; the powder profile will look like</p>
2065
2066<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2067 id="Picture_x0020_30" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt;
2068 height:401.25pt;visibility:visible;mso-wrap-style:square'>
2069 <v:imagedata src="Stacking%20Faults-I_files/image059.png" o:title=""/>
2070</v:shape><![endif]--><![if !vml]><img width=624 height=535
2071src="Stacking%20Faults-I_files/image060.gif" v:shapes="Picture_x0020_30"><![endif]></span></p>
2072
2073<p class=MsoNormal>Again, I have used ‘<b style='mso-bidi-font-weight:normal'><span
2074style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2075mso-hansi-theme-font:minor-latin'>+</span></b>’ and zoomed in to show the
2076interesting part of the pattern. </p>
2077
2078<p class=MsoNormal>As additional work you can do sequential simulations to
2079explore the effect of changing probabilities. Try varying <b style='mso-bidi-font-weight:
2080normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2081minor-latin;mso-hansi-theme-font:minor-latin'>TransP;0;0</span></b>, i.e. layer
20821 – layer 1 (CS) transition probability and <b style='mso-bidi-font-weight:
2083normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2084minor-latin;mso-hansi-theme-font:minor-latin'>TransP;2;1</span></b>, i.e. layer
20853 – layer – 2 (HS) transition probability. Be sure the <b style='mso-bidi-font-weight:
2086normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2087minor-latin;mso-hansi-theme-font:minor-latin'>Symmetric probabilities</span></b>
2088box is checked otherwise you’ll get nonsense. This ends this stacking fault
2089tutorial; the next one involves using kaolinite layers to simulate diffraction
2090patterns from kaolinite clays.</p>
2091
2092</div>
2093
2094</body>
2095
2096</html>
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