source: trunk/help/Neutron CW Powder Data.htm @ 595

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382        font-family:"Times New Roman","serif";
383        mso-fareast-font-family:"Times New Roman";
384        mso-fareast-theme-font:minor-fareast;}
385h1
386        {mso-style-priority:9;
387        mso-style-unhide:no;
388        mso-style-qformat:yes;
389        mso-style-link:"Heading 1 Char";
390        mso-margin-top-alt:auto;
391        margin-right:0in;
392        mso-margin-bottom-alt:auto;
393        margin-left:0in;
394        mso-pagination:widow-orphan;
395        mso-outline-level:1;
396        font-size:24.0pt;
397        font-family:"Times New Roman","serif";
398        mso-fareast-font-family:"Times New Roman";
399        mso-fareast-theme-font:minor-fareast;
400        font-weight:bold;}
401h2
402        {mso-style-noshow:yes;
403        mso-style-priority:9;
404        mso-style-qformat:yes;
405        mso-style-link:"Heading 2 Char";
406        mso-margin-top-alt:auto;
407        margin-right:0in;
408        mso-margin-bottom-alt:auto;
409        margin-left:0in;
410        mso-pagination:widow-orphan;
411        mso-outline-level:2;
412        font-size:18.0pt;
413        font-family:"Times New Roman","serif";
414        mso-fareast-font-family:"Times New Roman";
415        mso-fareast-theme-font:minor-fareast;
416        font-weight:bold;}
417h3
418        {mso-style-noshow:yes;
419        mso-style-priority:9;
420        mso-style-qformat:yes;
421        mso-style-link:"Heading 3 Char";
422        mso-margin-top-alt:auto;
423        margin-right:0in;
424        mso-margin-bottom-alt:auto;
425        margin-left:0in;
426        mso-pagination:widow-orphan;
427        mso-outline-level:3;
428        font-size:13.5pt;
429        font-family:"Times New Roman","serif";
430        mso-fareast-font-family:"Times New Roman";
431        mso-fareast-theme-font:minor-fareast;
432        font-weight:bold;}
433h4
434        {mso-style-noshow:yes;
435        mso-style-priority:9;
436        mso-style-qformat:yes;
437        mso-style-link:"Heading 4 Char";
438        mso-style-next:Normal;
439        margin-top:10.0pt;
440        margin-right:0in;
441        margin-bottom:0in;
442        margin-left:0in;
443        margin-bottom:.0001pt;
444        mso-pagination:widow-orphan lines-together;
445        page-break-after:avoid;
446        mso-outline-level:4;
447        font-size:13.0pt;
448        font-family:"Cambria","serif";
449        mso-ascii-font-family:Cambria;
450        mso-ascii-theme-font:major-latin;
451        mso-fareast-font-family:"Times New Roman";
452        mso-fareast-theme-font:major-fareast;
453        mso-hansi-font-family:Cambria;
454        mso-hansi-theme-font:major-latin;
455        mso-bidi-font-family:"Times New Roman";
456        mso-bidi-theme-font:major-bidi;
457        color:#4F81BD;
458        mso-themecolor:accent1;
459        font-weight:bold;
460        font-style:italic;}
461h5
462        {mso-style-noshow:yes;
463        mso-style-priority:9;
464        mso-style-qformat:yes;
465        mso-style-link:"Heading 5 Char";
466        mso-margin-top-alt:auto;
467        margin-right:0in;
468        mso-margin-bottom-alt:auto;
469        margin-left:0in;
470        mso-pagination:widow-orphan;
471        mso-outline-level:5;
472        font-size:12.0pt;
473        font-family:"Times New Roman","serif";
474        mso-fareast-font-family:"Times New Roman";
475        mso-fareast-theme-font:minor-fareast;
476        color:#4F4FFF;
477        font-weight:bold;}
478a:link, span.MsoHyperlink
479        {mso-style-noshow:yes;
480        mso-style-priority:99;
481        color:blue;
482        text-decoration:underline;
483        text-underline:single;}
484a:visited, span.MsoHyperlinkFollowed
485        {mso-style-noshow:yes;
486        mso-style-priority:99;
487        color:purple;
488        text-decoration:underline;
489        text-underline:single;}
490p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
491        {mso-style-noshow:yes;
492        mso-style-priority:99;
493        mso-style-link:"Document Map Char";
494        margin:0in;
495        margin-bottom:.0001pt;
496        mso-pagination:widow-orphan;
497        font-size:8.0pt;
498        font-family:"Tahoma","sans-serif";
499        mso-fareast-font-family:"Times New Roman";
500        mso-fareast-theme-font:minor-fareast;}
501p
502        {mso-style-noshow:yes;
503        mso-style-priority:99;
504        mso-margin-top-alt:auto;
505        margin-right:0in;
506        mso-margin-bottom-alt:auto;
507        margin-left:0in;
508        mso-pagination:widow-orphan;
509        font-size:12.0pt;
510        font-family:"Times New Roman","serif";
511        mso-fareast-font-family:"Times New Roman";
512        mso-fareast-theme-font:minor-fareast;}
513pre
514        {mso-style-noshow:yes;
515        mso-style-priority:99;
516        mso-style-link:"HTML Preformatted Char";
517        margin:0in;
518        margin-bottom:.0001pt;
519        mso-pagination:widow-orphan;
520        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;
521        font-size:10.0pt;
522        font-family:"Courier New";
523        mso-fareast-font-family:"Times New Roman";}
524p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
525        {mso-style-noshow:yes;
526        mso-style-priority:99;
527        mso-style-link:"Balloon Text Char";
528        margin:0in;
529        margin-bottom:.0001pt;
530        mso-pagination:widow-orphan;
531        font-size:8.0pt;
532        font-family:"Tahoma","sans-serif";
533        mso-fareast-font-family:"Times New Roman";
534        mso-fareast-theme-font:minor-fareast;}
535span.MsoPlaceholderText
536        {mso-style-noshow:yes;
537        mso-style-priority:99;
538        mso-style-unhide:no;
539        color:gray;}
540p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
541        {mso-style-noshow:yes;
542        mso-style-priority:1;
543        mso-style-unhide:no;
544        mso-style-qformat:yes;
545        mso-style-parent:"";
546        margin:0in;
547        margin-bottom:.0001pt;
548        mso-pagination:widow-orphan;
549        font-size:12.0pt;
550        font-family:"Times New Roman","serif";
551        mso-fareast-font-family:"Times New Roman";
552        mso-fareast-theme-font:minor-fareast;}
553p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
554        {mso-style-noshow:yes;
555        mso-style-priority:34;
556        mso-style-unhide:no;
557        mso-style-qformat:yes;
558        margin-top:0in;
559        margin-right:0in;
560        margin-bottom:0in;
561        margin-left:.5in;
562        margin-bottom:.0001pt;
563        mso-add-space:auto;
564        mso-pagination:widow-orphan;
565        font-size:12.0pt;
566        font-family:"Times New Roman","serif";
567        mso-fareast-font-family:"Times New Roman";
568        mso-fareast-theme-font:minor-fareast;}
569p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
570        {mso-style-noshow:yes;
571        mso-style-priority:34;
572        mso-style-unhide:no;
573        mso-style-qformat:yes;
574        mso-style-type:export-only;
575        margin-top:0in;
576        margin-right:0in;
577        margin-bottom:0in;
578        margin-left:.5in;
579        margin-bottom:.0001pt;
580        mso-add-space:auto;
581        mso-pagination:widow-orphan;
582        font-size:12.0pt;
583        font-family:"Times New Roman","serif";
584        mso-fareast-font-family:"Times New Roman";
585        mso-fareast-theme-font:minor-fareast;}
586p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
587        {mso-style-noshow:yes;
588        mso-style-priority:34;
589        mso-style-unhide:no;
590        mso-style-qformat:yes;
591        mso-style-type:export-only;
592        margin-top:0in;
593        margin-right:0in;
594        margin-bottom:0in;
595        margin-left:.5in;
596        margin-bottom:.0001pt;
597        mso-add-space:auto;
598        mso-pagination:widow-orphan;
599        font-size:12.0pt;
600        font-family:"Times New Roman","serif";
601        mso-fareast-font-family:"Times New Roman";
602        mso-fareast-theme-font:minor-fareast;}
603p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
604        {mso-style-noshow:yes;
605        mso-style-priority:34;
606        mso-style-unhide:no;
607        mso-style-qformat:yes;
608        mso-style-type:export-only;
609        margin-top:0in;
610        margin-right:0in;
611        margin-bottom:0in;
612        margin-left:.5in;
613        margin-bottom:.0001pt;
614        mso-add-space:auto;
615        mso-pagination:widow-orphan;
616        font-size:12.0pt;
617        font-family:"Times New Roman","serif";
618        mso-fareast-font-family:"Times New Roman";
619        mso-fareast-theme-font:minor-fareast;}
620span.MsoIntenseReference
621        {mso-style-priority:32;
622        mso-style-unhide:no;
623        mso-style-qformat:yes;
624        font-variant:small-caps;
625        color:#C0504D;
626        mso-themecolor:accent2;
627        letter-spacing:.25pt;
628        font-weight:bold;
629        text-decoration:underline;
630        text-underline:single;}
631span.Heading1Char
632        {mso-style-name:"Heading 1 Char";
633        mso-style-priority:9;
634        mso-style-unhide:no;
635        mso-style-locked:yes;
636        mso-style-link:"Heading 1";
637        mso-ansi-font-size:24.0pt;
638        mso-bidi-font-size:24.0pt;
639        font-family:"Times New Roman","serif";
640        mso-ascii-font-family:"Times New Roman";
641        mso-fareast-font-family:"Times New Roman";
642        mso-fareast-theme-font:minor-fareast;
643        mso-hansi-font-family:"Times New Roman";
644        mso-bidi-font-family:"Times New Roman";
645        mso-font-kerning:18.0pt;
646        font-weight:bold;}
647span.Heading2Char
648        {mso-style-name:"Heading 2 Char";
649        mso-style-noshow:yes;
650        mso-style-priority:9;
651        mso-style-unhide:no;
652        mso-style-locked:yes;
653        mso-style-link:"Heading 2";
654        mso-ansi-font-size:18.0pt;
655        mso-bidi-font-size:18.0pt;
656        font-family:"Times New Roman","serif";
657        mso-ascii-font-family:"Times New Roman";
658        mso-fareast-font-family:"Times New Roman";
659        mso-fareast-theme-font:minor-fareast;
660        mso-hansi-font-family:"Times New Roman";
661        mso-bidi-font-family:"Times New Roman";
662        font-weight:bold;}
663span.Heading3Char
664        {mso-style-name:"Heading 3 Char";
665        mso-style-noshow:yes;
666        mso-style-priority:9;
667        mso-style-unhide:no;
668        mso-style-locked:yes;
669        mso-style-link:"Heading 3";
670        mso-ansi-font-size:13.5pt;
671        mso-bidi-font-size:13.5pt;
672        font-family:"Times New Roman","serif";
673        mso-ascii-font-family:"Times New Roman";
674        mso-fareast-font-family:"Times New Roman";
675        mso-fareast-theme-font:minor-fareast;
676        mso-hansi-font-family:"Times New Roman";
677        mso-bidi-font-family:"Times New Roman";
678        font-weight:bold;}
679span.Heading4Char
680        {mso-style-name:"Heading 4 Char";
681        mso-style-noshow:yes;
682        mso-style-priority:9;
683        mso-style-unhide:no;
684        mso-style-locked:yes;
685        mso-style-link:"Heading 4";
686        mso-ansi-font-size:13.0pt;
687        mso-bidi-font-size:13.0pt;
688        font-family:"Cambria","serif";
689        mso-ascii-font-family:Cambria;
690        mso-ascii-theme-font:major-latin;
691        mso-fareast-font-family:"Times New Roman";
692        mso-fareast-theme-font:major-fareast;
693        mso-hansi-font-family:Cambria;
694        mso-hansi-theme-font:major-latin;
695        mso-bidi-font-family:"Times New Roman";
696        mso-bidi-theme-font:major-bidi;
697        color:#4F81BD;
698        mso-themecolor:accent1;
699        font-weight:bold;
700        font-style:italic;}
701span.Heading5Char
702        {mso-style-name:"Heading 5 Char";
703        mso-style-noshow:yes;
704        mso-style-priority:9;
705        mso-style-unhide:no;
706        mso-style-locked:yes;
707        mso-style-link:"Heading 5";
708        mso-ansi-font-size:12.0pt;
709        mso-bidi-font-size:12.0pt;
710        font-family:"Times New Roman","serif";
711        mso-ascii-font-family:"Times New Roman";
712        mso-fareast-font-family:"Times New Roman";
713        mso-fareast-theme-font:minor-fareast;
714        mso-hansi-font-family:"Times New Roman";
715        mso-bidi-font-family:"Times New Roman";
716        color:#4F4FFF;
717        font-weight:bold;}
718span.HTMLPreformattedChar
719        {mso-style-name:"HTML Preformatted Char";
720        mso-style-noshow:yes;
721        mso-style-priority:99;
722        mso-style-unhide:no;
723        mso-style-locked:yes;
724        mso-style-link:"HTML Preformatted";
725        mso-ansi-font-size:10.0pt;
726        mso-bidi-font-size:10.0pt;
727        font-family:"Courier New";
728        mso-ascii-font-family:"Courier New";
729        mso-fareast-font-family:"Times New Roman";
730        mso-hansi-font-family:"Courier New";
731        mso-bidi-font-family:"Courier New";}
732span.DocumentMapChar
733        {mso-style-name:"Document Map Char";
734        mso-style-noshow:yes;
735        mso-style-priority:99;
736        mso-style-unhide:no;
737        mso-style-locked:yes;
738        mso-style-link:"Document Map";
739        mso-ansi-font-size:8.0pt;
740        mso-bidi-font-size:8.0pt;
741        font-family:"Tahoma","sans-serif";
742        mso-ascii-font-family:Tahoma;
743        mso-fareast-font-family:"Times New Roman";
744        mso-fareast-theme-font:minor-fareast;
745        mso-hansi-font-family:Tahoma;
746        mso-bidi-font-family:Tahoma;}
747span.BalloonTextChar
748        {mso-style-name:"Balloon Text Char";
749        mso-style-noshow:yes;
750        mso-style-priority:99;
751        mso-style-unhide:no;
752        mso-style-locked:yes;
753        mso-style-link:"Balloon Text";
754        mso-ansi-font-size:8.0pt;
755        mso-bidi-font-size:8.0pt;
756        font-family:"Tahoma","sans-serif";
757        mso-ascii-font-family:Tahoma;
758        mso-fareast-font-family:"Times New Roman";
759        mso-fareast-theme-font:minor-fareast;
760        mso-hansi-font-family:Tahoma;
761        mso-bidi-font-family:Tahoma;}
762span.SpellE
763        {mso-style-name:"";
764        mso-spl-e:yes;}
765span.GramE
766        {mso-style-name:"";
767        mso-gram-e:yes;}
768.MsoChpDefault
769        {mso-style-type:export-only;
770        mso-default-props:yes;
771        font-size:10.0pt;
772        mso-ansi-font-size:10.0pt;
773        mso-bidi-font-size:10.0pt;
774        mso-ascii-font-family:Calibri;
775        mso-ascii-theme-font:minor-latin;
776        mso-fareast-font-family:Calibri;
777        mso-fareast-theme-font:minor-latin;
778        mso-hansi-font-family:Calibri;
779        mso-hansi-theme-font:minor-latin;
780        mso-bidi-font-family:"Times New Roman";
781        mso-bidi-theme-font:minor-bidi;}
782@page WordSection1
783        {size:8.5in 11.0in;
784        margin:1.0in 1.0in 1.0in 1.0in;
785        mso-header-margin:.5in;
786        mso-footer-margin:.5in;
787        mso-paper-source:0;}
788div.WordSection1
789        {page:WordSection1;}
790 /* List Definitions */
791 @list l0
792        {mso-list-id:-132;
793        mso-list-type:simple;
794        mso-list-template-ids:491691282;}
795@list l0:level1
796        {mso-level-tab-stop:1.25in;
797        mso-level-number-position:left;
798        margin-left:1.25in;
799        text-indent:-.25in;}
800@list l1
801        {mso-list-id:-131;
802        mso-list-type:simple;
803        mso-list-template-ids:-839065542;}
804@list l1:level1
805        {mso-level-tab-stop:1.0in;
806        mso-level-number-position:left;
807        margin-left:1.0in;
808        text-indent:-.25in;}
809@list l2
810        {mso-list-id:-130;
811        mso-list-type:simple;
812        mso-list-template-ids:557449798;}
813@list l2:level1
814        {mso-level-tab-stop:.75in;
815        mso-level-number-position:left;
816        margin-left:.75in;
817        text-indent:-.25in;}
818@list l3
819        {mso-list-id:-129;
820        mso-list-type:simple;
821        mso-list-template-ids:-2105238956;}
822@list l3:level1
823        {mso-level-tab-stop:.5in;
824        mso-level-number-position:left;
825        text-indent:-.25in;}
826@list l4
827        {mso-list-id:-128;
828        mso-list-type:simple;
829        mso-list-template-ids:-1892404988;}
830@list l4:level1
831        {mso-level-number-format:bullet;
832        mso-level-text:\F0B7;
833        mso-level-tab-stop:1.25in;
834        mso-level-number-position:left;
835        margin-left:1.25in;
836        text-indent:-.25in;
837        font-family:Symbol;}
838@list l5
839        {mso-list-id:-127;
840        mso-list-type:simple;
841        mso-list-template-ids:1201825090;}
842@list l5:level1
843        {mso-level-number-format:bullet;
844        mso-level-text:\F0B7;
845        mso-level-tab-stop:1.0in;
846        mso-level-number-position:left;
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1044
1045<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1046
1047<div class=WordSection1>
1048
1049<h1><a name="_Toc504374004">Neutron CW Powder Data - Yttrium Iron/</a><span
1050class=SpellE><span style='mso-bookmark:_Toc504374004'>Aluminium</span></span><span
1051style='mso-bookmark:_Toc504374004'> Garnet</span></h1>
1052
1053<p class=MsoNormal>In this training exercise you will refine the structure of
1054yttrium iron/<span class=SpellE>aluminium</span> garnet using constant
1055wavelength neutron data. The structure is cubic with four different atomic sites
1056two of which are occupied by both iron and aluminum. The data was taken on the
1057D1a powder diffractometer at the <st1:State w:st="on">ILL</st1:State>, <st1:place
1058w:st="on"><st1:City w:st="on">Grenoble</st1:City>, <st1:country-region w:st="on">France</st1:country-region></st1:place>
1059using 1.909Å wavelength neutrons.</p>
1060
1061<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1062
1063<p class=MsoNormal>If you have not done so already, <a
1064href="Starting%20GSAS.htm">start GSAS-II</a>.</p>
1065
1066<h2>Step 1: read in the data file</h2>
1067
1068<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
1069style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1070style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1071the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1072mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1073minor-latin'>Data/Read powder data</span></b> menu item to read the data file
1074into GSAS-II. This read option is set to read any of the powder data formats
1075(except neutron TOF time map files) defined for GSAS (angles in <span
1076class=SpellE>centidegrees</span>). It will also read the <span class=SpellE><b
1077style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1078mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1079minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
1080class=SpellE>Topas</span>, etc.<span style='mso-spacerun:yes'>  </span>Change
1081the file directory to <b style='mso-bidi-font-weight:normal'><span
1082style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1083mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Exercises/garnet</span></b><span
1084style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1085mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> to find the
1086file; you will need to change the file type to <b style='mso-bidi-font-weight:
1087normal'>All files (*.*)</b> to find the desired file.</span></p>
1088
1089<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
1090style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1091style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1092the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1093style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1094mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>garnet.raw</span></b></span><span
1095style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1096mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> data</span>
1097file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1098style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1099mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1100There will be a Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:
1101normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1102minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1103style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1104mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1105minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1106style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1107mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1108minor-latin'>Yes</span></b></span> button to proceed.</p>
1109
1110<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
1111style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1112style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1113the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1114mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1115minor-latin'>inst_d1a.prm</span></b> instrument parameter file in the second
1116dialog and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
1117"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1118minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.</p>
1119
1120<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1121
1122<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
1123style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1124mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1125tree</span></b> window will have several entries and the plot window will show
1126the powder pattern</p>
1127
1128<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1129
1130<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
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1153</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
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1155
1156<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1157
1158<h2>Step 2: Create the phase</h2>
1159
1160<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo4'><![if !supportLists]><span
1161style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1162style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1163the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1164mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1165minor-latin'>Data/Add phase</span></b> menu item to begin creation of the new
1166phase for this garnet; enter a phase name in the dialog box, we assume ‘<b
1167style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1168mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1169minor-latin'>garnet</span></b>’.</p>
1170
1171<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo4'><![if !supportLists]><span
1172style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1173style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>At
1174the bottom of the <b style='mso-bidi-font-weight:normal'><span
1175style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1176mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II tree</span></b>
1177find <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1178mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1179minor-latin'>Phases</span></b> &amp; click the ’<b style='mso-bidi-font-weight:
1180normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1181minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>+</span></b>’
1182box to expand it. Then click on <b style='mso-bidi-font-weight:normal'><span
1183style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1184mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>garnet</span></b>
1185to select it; the <b style='mso-bidi-font-weight:normal'><span
1186style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1187mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase data
1188for garnet</span></b> window will appear and the <b style='mso-bidi-font-weight:
1189normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1190minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
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1197
1198<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1199
1200<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo4'><![if !supportLists]><span
1201style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1202style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>The
1203<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1204mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1205minor-latin'>Phase type</span></b> is correctly set to “<b style='mso-bidi-font-weight:
1206normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1207minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>nuclear</span></b>”;
1208other options will become valid in the future. Enter the space group ‘<b
1209style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1210mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1211minor-latin'>I a 3 d</span></b>’ (spaces between axial fields are required in
1212GSAS-II) and press <b style='mso-bidi-font-weight:normal'><span
1213style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1214mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Enter</span></b>,
1215the space group information window will appear</p>
1216
1217<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1218
1219<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1220 id="Picture_x0020_3" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:333.75pt;
1221 height:355.5pt;visibility:visible;mso-wrap-style:square'>
1222 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image003.png" o:title=""/>
1223</v:shape><![endif]--><![if !vml]><img border=0 width=445 height=474
1224src="Neutron%20CW%20Powder%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
1225
1226<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1227
1228<p class=MsoListParagraphCxSpMiddle>Press <b style='mso-bidi-font-weight:normal'><span
1229style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1230mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1231to exit. The <b style='mso-bidi-font-weight:normal'><span style='font-family:
1232"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1233minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> tab display will
1234change (principally changes in lattice parameter display).</p>
1235
1236<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo4'><![if !supportLists]><span
1237style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1238style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Enter
1239the lattice parameter for garnet (a=<b style='mso-bidi-font-weight:normal'><span
1240style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1241mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>12.19</span></b>)
1242in the appropriate field and press <b style='mso-bidi-font-weight:normal'><span
1243style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1244mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Enter</span></b>.
1245The display will change again to show the cell volume.</p>
1246
1247<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo4'><![if !supportLists]><span
1248style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1249style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Click
1250on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1251mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1252minor-latin'>Data</span></b> tab in the <b style='mso-bidi-font-weight:normal'><span
1253style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1254mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase data
1255for garnet </span></b>window and select <b style='mso-bidi-font-weight:normal'><span
1256style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1257mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit/Add
1258powder histograms</span></b> in the menu for this window. A <b
1259style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1260mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1261minor-latin'>Use data</span></b> window will appear with only one choice <b
1262style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1263mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1264minor-latin'>PWDR <span class=SpellE>garnet.raw</span>: BANK 1</span></b>.
1265Select it and press <b style='mso-bidi-font-weight:normal'><span
1266style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1267mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1268The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1269mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1270minor-latin'>Data</span></b> tab will change; press the <b style='mso-bidi-font-weight:
1271normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1272minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Show
1273PWDR <span class=SpellE>garnet.raw</span>: BANK 1</span></b> check box; the
1274window will change again</p>
1275
1276<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1277
1278<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1279 id="Picture_x0020_5" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:342.75pt;
1280 height:342pt;visibility:visible;mso-wrap-style:square'>
1281 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image004.png" o:title=""/>
1282</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=456
1283src="Neutron%20CW%20Powder%20Data_files/image004.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
1284
1285<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1286
1287<p class=MsoListParagraphCxSpLast>I’ve pulled down the bottom of the window to
1288show the whole thing. This window is the home of parameters that are both phase
1289and data set dependent. These include phase fraction, crystallite size, <span
1290class=SpellE>mustrain</span> &amp; preferred orientation. None of these are
1291needed for this refinement so you can unclick the Show check box.</p>
1292
1293<h2><span class=GramE>Step 3.</span> Insert the atoms</h2>
1294
1295<p class=MsoNormal>Click on the <b style='mso-bidi-font-weight:normal'><span
1296style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1297mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
1298tab; this is where you will insert the atoms for the garnet structure. The 6
1299sets of atom coordinates are:</p>
1300
1301<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1302
1303<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0
1304 style='margin-left:30.2pt;border-collapse:collapse;border:none;mso-border-alt:
1305 solid windowtext .5pt;mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'>
1306 <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes'>
1307  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1308  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1309  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1310  mso-add-space:auto;text-align:center'>TYPE<o:p></o:p></p>
1311  </td>
1312  <td width=120 valign=top style='width:1.25in;border:solid windowtext 1.0pt;
1313  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1314  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1315  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1316  mso-add-space:auto;text-align:center'>X<o:p></o:p></p>
1317  </td>
1318  <td width=126 valign=top style='width:94.5pt;border:solid windowtext 1.0pt;
1319  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1320  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1321  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1322  mso-add-space:auto;text-align:center'>Y<o:p></o:p></p>
1323  </td>
1324  <td width=114 valign=top style='width:85.5pt;border:solid windowtext 1.0pt;
1325  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1326  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1327  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1328  mso-add-space:auto;text-align:center'>Z<o:p></o:p></p>
1329  </td>
1330 </tr>
1331 <tr style='mso-yfti-irow:1'>
1332  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1333  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1334  padding:0in 5.4pt 0in 5.4pt'>
1335  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1336  mso-add-space:auto;text-align:center'>Y<o:p></o:p></p>
1337  </td>
1338  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1339  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1340  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1341  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1342  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1343  mso-add-space:auto;text-align:center'>0.12500<o:p></o:p></p>
1344  </td>
1345  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1346  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1347  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1348  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1349  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1350  mso-add-space:auto;text-align:center'>0.25000<o:p></o:p></p>
1351  </td>
1352  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1353  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1354  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1355  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1356  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1357  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1358  </td>
1359 </tr>
1360 <tr style='mso-yfti-irow:2'>
1361  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1362  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1363  padding:0in 5.4pt 0in 5.4pt'>
1364  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1365  mso-add-space:auto;text-align:center'>FE<o:p></o:p></p>
1366  </td>
1367  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1368  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1369  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1370  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1371  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1372  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1373  </td>
1374  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1375  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1376  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1377  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1378  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1379  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1380  </td>
1381  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1382  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1383  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1384  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1385  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1386  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1387  </td>
1388 </tr>
1389 <tr style='mso-yfti-irow:3'>
1390  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1391  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1392  padding:0in 5.4pt 0in 5.4pt'>
1393  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1394  mso-add-space:auto;text-align:center'>AL<o:p></o:p></p>
1395  </td>
1396  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1397  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1398  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1399  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1400  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1401  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1402  </td>
1403  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1404  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1405  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1406  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1407  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1408  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1409  </td>
1410  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1411  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1412  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1413  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1414  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1415  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1416  </td>
1417 </tr>
1418 <tr style='mso-yfti-irow:4'>
1419  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1420  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1421  padding:0in 5.4pt 0in 5.4pt'>
1422  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1423  mso-add-space:auto;text-align:center'>AL<o:p></o:p></p>
1424  </td>
1425  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1426  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1427  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1428  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1429  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1430  mso-add-space:auto;text-align:center'>0.37500<o:p></o:p></p>
1431  </td>
1432  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1433  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1434  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1435  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1436  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1437  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1438  </td>
1439  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1440  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1441  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1442  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1443  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1444  mso-add-space:auto;text-align:center'>0.25000<o:p></o:p></p>
1445  </td>
1446 </tr>
1447 <tr style='mso-yfti-irow:5'>
1448  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1449  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1450  padding:0in 5.4pt 0in 5.4pt'>
1451  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1452  mso-add-space:auto;text-align:center'>FE<o:p></o:p></p>
1453  </td>
1454  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1455  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1456  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1457  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1458  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1459  mso-add-space:auto;text-align:center'>0.37500<o:p></o:p></p>
1460  </td>
1461  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1462  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1463  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1464  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1465  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1466  mso-add-space:auto;text-align:center'>0.00000<o:p></o:p></p>
1467  </td>
1468  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1469  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1470  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1471  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1472  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1473  mso-add-space:auto;text-align:center'>0.25000<o:p></o:p></p>
1474  </td>
1475 </tr>
1476 <tr style='mso-yfti-irow:6;mso-yfti-lastrow:yes'>
1477  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1478  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1479  padding:0in 5.4pt 0in 5.4pt'>
1480  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1481  mso-add-space:auto;text-align:center'>O<o:p></o:p></p>
1482  </td>
1483  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1484  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1485  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1486  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1487  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1488  mso-add-space:auto;text-align:center'>-0.03000<o:p></o:p></p>
1489  </td>
1490  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1491  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1492  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1493  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1494  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1495  mso-add-space:auto;text-align:center'>0.05000<o:p></o:p></p>
1496  </td>
1497  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1498  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1499  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1500  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1501  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1502  mso-add-space:auto;text-align:center'>0.15000<o:p></o:p></p>
1503  </td>
1504 </tr>
1505</table>
1506
1507<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1508
1509<p class=MsoNormal>To begin use the <b style='mso-bidi-font-weight:normal'><span
1510style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1511mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit/Append
1512atom</span></b> in the menu on the <b style='mso-bidi-font-weight:normal'><span
1513style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1514mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
1515tab 6 times to create the default set of atom places in the table; the table
1516will look like</p>
1517
1518<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1519
1520<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1521 id="Picture_x0020_6" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
1522 height:195pt;visibility:visible;mso-wrap-style:square'>
1523 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image005.png" o:title=""/>
1524</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=260
1525src="Neutron%20CW%20Powder%20Data_files/image005.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1526
1527<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1528
1529<p class=MsoNormal>Then for each atom to be inserted, click </p>
1530
1531</div>
1532
1533</body>
1534
1535</html>
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