Changeset 2390 for Tutorials/LabData

Timestamp:

Jul 28, 2016 2:18:10 PM (7 years ago)

Author:

vondreele

Message:

 

Location:

Tutorials/LabData

Files:

• Laboratory X.htm (modified) (72 diffs)
• Laboratory X_files/filelist.xml (modified) (2 diffs)

Tutorials/LabData/Laboratory X.htm

@@ -23 +23 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>20</o:Revision>
+  <o:Revision>21</o:Revision>
   <o:TotalTime>1666</o:TotalTime>
   <o:Created>2012-05-08T16:04:00Z</o:Created>
-  <o:LastSaved>2015-03-18T15:35:00Z</o:LastSaved>
+  <o:LastSaved>2016-07-28T18:40:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
-  <o:Words>3164</o:Words>
-  <o:Characters>18038</o:Characters>
+  <o:Words>3163</o:Words>
+  <o:Characters>18034</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
   <o:Lines>150</o:Lines>
   <o:Paragraphs>42</o:Paragraphs>
-  <o:CharactersWithSpaces>21160</o:CharactersWithSpaces>
-  <o:Version>15.00</o:Version>
+  <o:CharactersWithSpaces>21155</o:CharactersWithSpaces>
+  <o:Version>16.00</o:Version>
  </o:DocumentProperties>
  <o:OfficeDocumentSettings>
@@ -44 +44 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
-  <w:SpellingState>Clean</w:SpellingState>
-  <w:GrammarState>Clean</w:GrammarState>
   <w:TrackMoves>false</w:TrackMoves>
   <w:TrackFormatting/>
@@ -658 +656 @@
         {font-family:"Cambria Math";
         panose-1:2 4 5 3 5 4 6 3 2 4;
-        mso-font-charset:0;
+        mso-font-charset:1;
         mso-generic-font-family:roman;
         mso-font-pitch:variable;
-        mso-font-signature:-536870145 1107305727 0 0 415 0;}
+        mso-font-signature:0 0 0 0 0 0;}
 @font-face
         {font-family:Calibri;
@@ -1033 +1031 @@
         mso-hansi-font-family:"Courier New";
         mso-bidi-font-family:"Courier New";}
+p.msonormal0, li.msonormal0, div.msonormal0
+        {mso-style-name:msonormal;
+        mso-style-noshow:yes;
+        mso-style-priority:99;
+        mso-style-unhide:no;
+        mso-margin-top-alt:auto;
+        margin-right:0in;
+        mso-margin-bottom-alt:auto;
+        margin-left:0in;
+        mso-pagination:widow-orphan;
+        font-size:12.0pt;
+        font-family:"Times New Roman",serif;
+        mso-fareast-font-family:"Times New Roman";
+        mso-fareast-theme-font:minor-fareast;}
 span.DocumentMapChar
         {mso-style-name:"Document Map Char";
@@ -1063 +1075 @@
         mso-hansi-font-family:Tahoma;
         mso-bidi-font-family:Tahoma;}
-span.SpellE
-        {mso-style-name:"";
-        mso-spl-e:yes;}
-span.GramE
-        {mso-style-name:"";
-        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1075 +1081 @@
         mso-ansi-font-size:10.0pt;
         mso-bidi-font-size:10.0pt;
+        font-family:"Calibri",sans-serif;
         mso-ascii-font-family:Calibri;
         mso-ascii-theme-font:minor-latin;
@@ -1292 +1299 @@
 Data - Fluroapatite</span><o:p></o:p></strong></h1>
 
-<p class=MsoNormal>In this tutorial you will refine the structure of <span
-class=SpellE>fluoroapatite</span>, <span class=GramE>Ca<sub>5</sub>F(</span>PO<sub>4</sub>)<sub>3</sub>,
-using constant wavelength laboratory X-ray powder diffraction data. At the
-completion of the refinement you will then prepare a drawing of the <span
-class=SpellE>fluoroapatite</span> structure. The structure is hexagonal with
-four different kinds of atoms spread over seven different sites. The data was
-taken on a conventional Bragg-Brentano powder diffractometer using <span
-class=SpellE>CuK</span><sub><span style='font-family:Symbol'>a</span></sub>
+<p class=MsoNormal>In this tutorial you will refine the structure of
+fluoroapatite, Ca<sub>5</sub>F(PO<sub>4</sub>)<sub>3</sub>, using constant
+wavelength laboratory X-ray powder diffraction data. At the completion of the
+refinement you will then prepare a drawing of the fluoroapatite structure. The
+structure is hexagonal with four different kinds of atoms spread over seven
+different sites. The data was taken on a conventional Bragg-Brentano powder
+diffractometer using CuK<sub><span style='font-family:Symbol'>a</span></sub>
 radiation.</p>
 
@@ -1320 +1326 @@
 file</span></b> menu item to read the data file into GSAS-II. This read option
 is set to read any of the powder data formats (except neutron TOF time map
-files) defined for GSAS (angles in <span class=SpellE>centidegrees</span>). The
-<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+files) defined for GSAS (angles in centidegrees). The <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>xye</span></b> format (angles in degrees) used
+by Topas, etc. can also be read via the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
-class=SpellE>Topas</span>, etc. can also be read via the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Import/Import Powder Data</span></b>
-menus.<span style='mso-spacerun:yes'>  </span>Change the file directory to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>exercises/<span class=SpellE>LabData</span></span></b><span
+minor-latin'>Import/Import Powder Data</span></b> menus.<span
+style='mso-spacerun:yes'>  </span>Change the file directory to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>LabData/data</span></b><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
@@ -1351 +1356 @@
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
-Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:normal'><span
+Dialog box asking <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
-proceed.</p>
+minor-latin'>Is this the file you want?</span></b> Press <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>Yes</span></b> button to proceed.</p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
@@ -1409 +1410 @@
 
 <p class=MsoNormal>For this step we will take advantage of having an old GSAS
-experiment file with all the parameters for <span class=SpellE>fluroapatite</span>
-otherwise you’ll have to follow the steps used for the <a
-href="Neutron%20CW%20Powder%20Data.htm">CW neutron example on garnet</a> with
-the following information:</p>
-
-<p class=MsoNormal>Phase name = ‘<span class=SpellE>fap</span>’, Space group =
-P 63/m, unit cell a = 9.372, c = 6.886</p>
+experiment file with all the parameters for fluroapatite otherwise you’ll have
+to follow the steps used for the <a href="Neutron%20CW%20Powder%20Data.htm">CW
+neutron example on garnet</a> with the following information:</p>
+
+<p class=MsoNormal>Phase name = ‘fap’, Space group = P 63/m, unit cell a =
+9.372, c = 6.886</p>
 
 <p class=MsoNormal>Atom coordinates:</p>
@@ -1652 +1652 @@
 </table>
 
-<p class=MsoNormal>To import the <span class=SpellE>fluroapatite</span> phase
-information from the file FAP.EXP use the <b style='mso-bidi-font-weight:normal'><span
+<p class=MsoNormal>To import the fluroapatite phase information from the file
+FAP.EXP use the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Import/Import
+Phase menu</span></b> menu to see a pulldown menu. Select <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>from GSAS .EXP file. </span></b>The file
+selection dialog will still be set to the directory the data was found; click
+on <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>FAP.EXP</span></b> and <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b> to open it. You will
+see an <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Is this the
+file you want?</span></b> dialog; press <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Yes</span></b> to proceed. A small dialog box
+with a phase name of ‘<b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Import/Import Phase menu</span></b> <span class=SpellE>menu</span>
-to see a pulldown menu. Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>from GSAS .EXP file. </span></b>The file selection dialog will
-still be set to the directory the data was found; click on <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>FAP.EXP</span></b> and <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Open</span></b> to open it. You will see an <span
-class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'> this the file you want?</span></b> <span
-class=GramE>dialog</span>; press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Yes</span></b> to proceed. A small dialog box
-with a phase name of ‘<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>fap</span></b></span>’ will appear. We didn’t change it so press <b
+minor-latin'>fap</span></b>’ will appear. We didn’t change it so press <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
@@ -1699 +1695 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> entry of <span
-class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span>.
-Select it.to view the <span class=SpellE>fap</span> phase information</p>
+Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> entry of <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b>. Select it.to view the
+fap phase information</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1763 +1759 @@
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>9. </span></b>This
-will put background points at the two limits and at equal spaces in <span
-class=GramE>log(</span>2<span style='font-family:Symbol'>Q</span>) in between
-so there are more where the background is changing most rapidly. A linear
-interpolation is then used to compute the background for all points in the pattern
-during the Rietveld refinement.</p>
+will put background points at the two limits and at equal spaces in log(2<span
+style='font-family:Symbol'>Q</span>) in between so there are more where the
+background is changing most rapidly. A linear interpolation is then used to
+compute the background for all points in the pattern during the Rietveld
+refinement.</p>
 
 <h2>Step 5 1<sup>st</sup> Rietveld refinement</h2>
@@ -1782 +1778 @@
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu. You
-will be asked for a project file name, we used ‘<span class=SpellE>f<b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>ap</span></b></span>’ and made the
-file <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>fap.gpx</span></b></span>. The refinement proceeds and when
-complete (<span class=SpellE>Rwp</span> ~45.2%) a small dialog box will appear
-asking <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+will be asked for a project file name, we used ‘f<b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>ap</span></b>’ and made the file <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>fap.gpx</span></b>. The refinement
+proceeds and when complete (Rwp ~45.2%) a small dialog box will appear asking <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Load new result?</span></b> Press <b
@@ -1817 +1812 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span> and the sample displacement
-is found on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>fap</span></b> and the sample displacement is
+found on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Sample
@@ -1915 +1910 @@
       cropbottom="8083f" cropleft="21159f" cropright="21533f"/>
     </v:shape><![endif]--><![if !vml]><img width=167 height=194
-    src="Laboratory%20X_files/image007.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
+    src="Laboratory%20X_files/image024.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     </div>
     <![if !mso]></td>
@@ -1931 +1926 @@
 src="Laboratory%20X_files/image008.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
 
-<p class=MsoNormal><span class=GramE>noticeably</span> improved (<span
-class=SpellE>Rwp</span> ~14.5%). Close inspection (see inset) shows that most
-of the differences are in the widths of the peaks so we should refine
-crystallite size and <span class=SpellE>mustrain</span> parameters next.</p>
+<p class=MsoNormal>noticeably improved (Rwp ~14.5%). Close inspection (see
+inset) shows that most of the differences are in the widths of the peaks so we
+should refine crystallite size and mustrain parameters next.</p>
 
 <h2>Step 7 3<sup>rd</sup> Rietveld refinement</h2>
@@ -1941 +1935 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Phases/<span class=SpellE>fap</span></span></b> item in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and then
-select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Data</span></b>
-tab and set the refine flags for both size and <span class=SpellE>mustrain</span>.
-The window should look like</p>
+minor-latin'>Phases/fap</span></b> item in the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and then select
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Data</span></b> tab and set the refine
+flags for both size and mustrain. The window should look like</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1965 +1958 @@
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
-Do not be alarmed about how the <span class=SpellE>Rwp</span> jumps around on
-the progress bar; that is a consequence of how the <span class=SpellE>Levenberg</span>-Marquardt
-algorithm does a least squares minimization. The result in the end is
-noticeably better than before (<span class=SpellE>Rwp</span>=11.2%)</p>
+Do not be alarmed about how the Rwp jumps around on the progress bar; that is a
+consequence of how the Levenberg-Marquardt algorithm does a least squares
+minimization. The result in the end is noticeably better than before
+(Rwp=11.2%)</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1982 +1975 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phases/<span class=SpellE>fap</span> </span></b>and
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+Calibri;mso-bidi-theme-font:minor-latin'>Phases/fap </span></b>and the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab; the <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase data for <span class=SpellE>fap</span></span></b>
-window will display</p>
+Calibri;mso-bidi-theme-font:minor-latin'>Phase data for fap</span></b> window
+will display</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2044 +2037 @@
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
-The result is a bit better (<span class=SpellE>Rwp</span>=10.4%) and the plot
-is pretty much the same as before</p>
+The result is a bit better (Rwp=10.4%) and the plot is pretty much the same as
+before</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2054 +2047 @@
 src="Laboratory%20X_files/image014.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
 
-<p class=MsoNormal><span class=GramE>and</span> the atom parameters are</p>
+<p class=MsoNormal>and the atom parameters are</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1032" type="#_x0000_t75" style='width:525pt;height:225pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_15" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
+ height:225pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image015.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image015.png" v:shapes="_x0000_i1032"><![endif]></span></p>
-
-<p class=MsoNormal>The refinement is now essentially complete. The file <span
-class=SpellE>fap.lst</span> has the result of the last cycle of refinement with
-values and <span class=SpellE>esds</span> for all the parameters</p>
+src="Laboratory%20X_files/image015.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
+
+<p class=MsoNormal>The refinement is now essentially complete. The file fap.lst
+has the result of the last cycle of refinement with values and esds for all the
+parameters</p>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2075 +2068 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Number of function calls: <span class=GramE>12<span
-style='mso-spacerun:yes'>  </span>Number</span> of observations:<span
-style='mso-spacerun:yes'>  </span>5751<span style='mso-spacerun:yes'> 
-</span>Number of parameters:<span style='mso-spacerun:yes'>  </span>34<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>Number of function calls: 12<span
+style='mso-spacerun:yes'>  </span>Number of observations:<span
+style='mso-spacerun:yes'>  </span>5751<span style='mso-spacerun:yes'>  </span>Number
+of parameters:<span style='mso-spacerun:yes'>  </span>34<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2088 +2081 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=SpellE><span class=GramE>wR</span></span>
-=<span style='mso-spacerun:yes'>   </span>10.38%, chi**2 =<span
-style='mso-spacerun:yes'>      </span>19687.8, reduced chi**2 =<span
-style='mso-spacerun:yes'>   </span>3.44<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>wR =<span style='mso-spacerun:yes'>  
+</span>10.38%, chi**2 =<span style='mso-spacerun:yes'>      </span>19687.8,
+reduced chi**2 =<span style='mso-spacerun:yes'>   </span>3.44<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2105 +2097 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>name<span
-style='mso-spacerun:yes'>  </span>:</span><span
-style='mso-spacerun:yes'>          </span>0::A0<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
-style='mso-spacerun:yes'>         </span>0.0152<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>        
-</span>0.0000<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>name<span style='mso-spacerun:yes'> 
+</span>:<span style='mso-spacerun:yes'>          </span>0::A0<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>value :<span style='mso-spacerun:yes'>        
+</span>0.0152<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>         </span>0.0000<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2130 +2120 @@
 font-family:"Courier New";font-weight:normal'><span
 style='mso-spacerun:yes'> </span>Result for phase:<span
-style='mso-spacerun:yes'>  </span><span class=SpellE>fap</span><o:p></o:p></span></h2>
+style='mso-spacerun:yes'>  </span>fap<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2138 +2128 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span><span class=GramE>names :</span><span
-style='mso-spacerun:yes'>            </span>A11<span
+</span>names :<span style='mso-spacerun:yes'>            </span>A11<span
 style='mso-spacerun:yes'>            </span>A22<span
 style='mso-spacerun:yes'>            </span>A33<span
-style='mso-spacerun:yes'>            </span>A12<span
+style='mso-spacerun:yes'>        </span><span
+style='mso-spacerun:yes'>    </span>A12<span
 style='mso-spacerun:yes'>            </span>A13<span
 style='mso-spacerun:yes'>            </span>A23<o:p></o:p></span></h2>
@@ -2148 +2138 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span><span class=GramE>values</span>:<span style='mso-spacerun:yes'>   
-</span>0.015180436<span style='mso-spacerun:yes'>    </span>0.015180436<span
+</span>values:<span style='mso-spacerun:yes'>    </span>0.015180436<span
+style='mso-spacerun:yes'>    </span>0.015180436<span
 style='mso-spacerun:yes'>    </span>0.021090011<span
 style='mso-spacerun:yes'>    </span>0.015180436<span
@@ -2157 +2147 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span><span class=SpellE><span class=GramE>esds</span></span><span
-class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
+</span>esds<span style='mso-spacerun:yes'>  </span>:<span
 style='mso-spacerun:yes'>    </span>0.000000320<span
 style='mso-spacerun:yes'>                   </span>0.000000255<span
@@ -2169 +2158 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span><span class=GramE>names :</span><span
-style='mso-spacerun:yes'>           </span>a<span
+</span>names :<span style='mso-spacerun:yes'>           </span>a<span
 style='mso-spacerun:yes'>           </span>b<span
-style='mso-spacerun:yes'>       </span><span
-style='mso-spacerun:yes'>    </span>c<span style='mso-spacerun:yes'>      
-</span>alpha<span style='mso-spacerun:yes'>        </span>beta<span
+style='mso-spacerun:yes'>           </span>c<span
+style='mso-spacerun:yes'>       </span>alpha<span
+style='mso-spacerun:yes'>        </span>beta<span
 style='mso-spacerun:yes'>       </span>gamma<span
 style='mso-spacerun:yes'>      </span>Volume<o:p></o:p></span></h2>
@@ -2180 +2168 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span><span class=GramE>values</span>:<span style='mso-spacerun:yes'>   
-</span>9.371891<span style='mso-spacerun:yes'>    </span>9.371891<span
-style='mso-spacerun:yes'>    </span>6.885914<span style='mso-spacerun:yes'>    
-</span>90.0000<span style='mso-spacerun:yes'>     </span>90.0000<span
-style='mso-spacerun:yes'>    </span>120.0000<span style='mso-spacerun:yes'>    
-</span>523.777<o:p></o:p></span></h2>
+</span>values:<span style='mso-spacerun:yes'>    </span>9.371891<span
+style='mso-spacerun:yes'>    </span>9.371891<span style='mso-spacerun:yes'>   
+</span>6.885914<span style='mso-spacerun:yes'>     </span>90.0000<span
+style='mso-spacerun:yes'>     </span>90.0000<span style='mso-spacerun:yes'>   
+</span>120.0000<span style='mso-spacerun:yes'>     </span>523.777<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span><span class=SpellE><span class=GramE>esds</span></span><span
-class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
+</span>esds<span style='mso-spacerun:yes'>  </span>:<span
 style='mso-spacerun:yes'>    </span>0.000189<span
 style='mso-spacerun:yes'>                </span>0.000042<span
-style='mso-spacerun:yes'>                                          
-</span>0.008<o:p></o:p></span></h2>
+style='mso-spacerun:yes'>                         </span><span
+style='mso-spacerun:yes'>                  </span>0.008<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2205 +2191 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'>  
-</span><span class=GramE>name</span><span style='mso-spacerun:yes'>     
-</span>x<span style='mso-spacerun:yes'>         </span>y<span
+</span>name<span style='mso-spacerun:yes'>      </span>x<span
+style='mso-spacerun:yes'>         </span>y<span
 style='mso-spacerun:yes'>         </span>z<span style='mso-spacerun:yes'>     
-</span><span class=SpellE>frac</span><span style='mso-spacerun:yes'>   </span><span
-class=SpellE>Uiso</span><span style='mso-spacerun:yes'>     </span>U11<span
-style='mso-spacerun:yes'>     </span>U22<span style='mso-spacerun:yes'>    
-</span>U33<span style='mso-spacerun:yes'>     </span>U12<span
-style='mso-spacerun:yes'>     </span>U13<span style='mso-spacerun:yes'>    
-</span>U23<o:p></o:p></span></h2>
+</span>frac<span style='mso-spacerun:yes'>   </span>Uiso<span
+style='mso-spacerun:yes'>     </span>U11<span style='mso-spacerun:yes'>    
+</span>U22<span style='mso-spacerun:yes'>     </span>U33<span
+style='mso-spacerun:yes'>     </span>U12<span style='mso-spacerun:yes'>    
+</span>U13<span style='mso-spacerun:yes'>     </span>U23<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2225 +2210 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>: <span
-style='mso-spacerun:yes'>  </span>0.33333<span style='mso-spacerun:yes'>  
-</span>0.66667<span style='mso-spacerun:yes'>   </span>0.00202<span
-style='mso-spacerun:yes'>   </span>1.000 0.00840<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span
-style='mso-spacerun:yes'>                       </span>0.00030<span
-style='mso-spacerun:yes'>         </span>0.00036<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.33333<span style='mso-spacerun:yes'>   </span>0.66667<span
+style='mso-spacerun:yes'>   </span>0.00202<span style='mso-spacerun:yes'>  
+</span>1.000 0.00840<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>                      
+</span>0.00030<span style='mso-spacerun:yes'>         </span>0.00036<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2244 +2228 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>   </span>0.24161<span style='mso-spacerun:yes'>  
-</span>0.99231<span style='mso-spacerun:yes'>   </span>0.25000<span
-style='mso-spacerun:yes'>   </span>1.000 0.00712<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00016<span style='mso-spacerun:yes'>   </span>0.00019<span
-style='mso-spacerun:yes'>                   </span>0.00029<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.24161<span style='mso-spacerun:yes'>   </span>0.99231<span
+style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
+</span>1.000 0.00712<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>   </span>0.00016<span
+style='mso-spacerun:yes'>   </span>0.00019<span
+style='mso-spacerun:yes'>                  </span><span
+style='mso-spacerun:yes'> </span>0.00029<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2263 +2248 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>   </span>0.39715<span style='mso-spacerun:yes'>  
-</span>0.36781<span style='mso-spacerun:yes'>   </span>0.25000<span
-style='mso-spacerun:yes'>   </span>1.000 0.00719<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00020<span style='mso-spacerun:yes'>   </span>0.00019<span
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.39715<span style='mso-spacerun:yes'>   </span>0.36781<span
+style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
+</span>1.000 0.00719<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>   </span>0.00020<span
+style='mso-spacerun:yes'>   </span>0.00019<span
 style='mso-spacerun:yes'>                   </span>0.00040<o:p></o:p></span></h2>
 
@@ -2282 +2267 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
-</span>0.00000<span style='mso-spacerun:yes'>   </span>0.25000<span
-style='mso-spacerun:yes'>   </span>1.000 0.01746<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span
-style='mso-spacerun:yes'>                                       </span>0.00142<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.00000<span style='mso-spacerun:yes'>   </span>0.00000<span
+style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
+</span>1.000 0.01746<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>                                      
+</span>0.00142<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2300 +2285 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>   </span>0.32546<span style='mso-spacerun:yes'>  
-</span>0.48503<span style='mso-spacerun:yes'>   </span>0.25000<span
-style='mso-spacerun:yes'>   </span>1.000 0.00814<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00043<span style='mso-spacerun:yes'>   </span>0.00044<span
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.32546<span style='mso-spacerun:yes'>   </span>0.48503<span
+style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
+</span>1.000 0.00814<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>   </span>0.00043<span
+style='mso-spacerun:yes'>   </span>0.00044<span
 style='mso-spacerun:yes'>                   </span>0.00105<o:p></o:p></span></h2>
 
@@ -2319 +2304 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>   </span>0.59033<span style='mso-spacerun:yes'>  
-</span>0.46939<span style='mso-spacerun:yes'>   </span>0.25000<span
-style='mso-spacerun:yes'>   </span>1.000 0.01114<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00045<span style='mso-spacerun:yes'>   </span>0.00048<span
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.59033<span style='mso-spacerun:yes'>   </span>0.46939<span
+style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
+</span>1.000 0.01114<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>   </span>0.00045<span
+style='mso-spacerun:yes'>   </span>0.00048<span
 style='mso-spacerun:yes'>                   </span>0.00112<o:p></o:p></span></h2>
 
@@ -2338 +2323 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>   </span>0.33975<span style='mso-spacerun:yes'>  
-</span>0.25900<span style='mso-spacerun:yes'>   </span>0.07097<span
-style='mso-spacerun:yes'>   </span>1.000 0.01096<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
-</span>0.00035<span style='mso-spacerun:yes'>   </span>0.00035<span
-style='mso-spacerun:yes'>   </span>0.00035<span
-style='mso-spacerun:yes'>         </span>0.00079<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
+</span>0.33975<span style='mso-spacerun:yes'>   </span>0.25900<span
+style='mso-spacerun:yes'>   </span>0.07097<span style='mso-spacerun:yes'>  
+</span>1.000 0.01096<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>   </span>0.00035<span
+style='mso-spacerun:yes'>   </span>0.00035<span style='mso-spacerun:yes'>  
+</span>0.00035<span style='mso-spacerun:yes'>         </span>0.00079<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2356 +2340 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'>  </span><span
-class=SpellE><span class=GramE>fap</span></span><span class=GramE><span
-style='mso-spacerun:yes'>  </span>in</span> histogram:<span
+style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'> 
+</span>fap<span style='mso-spacerun:yes'>  </span>in histogram:<span
 style='mso-spacerun:yes'>  </span>PWDR FAP.XRA Bank 1<o:p></o:p></span></h2>
 
@@ -2380 +2363 @@
 style='mso-spacerun:yes'> </span>Size model:<span style='mso-spacerun:yes'>    
 </span>isotropic equatorial:<span style='mso-spacerun:yes'>     </span>0.39088,
-sig:<span style='mso-spacerun:yes'>  </span>0.0718 LG mix <span class=SpellE><span
-class=GramE>coeff</span></span><span class=GramE>.:</span><span
+sig:<span style='mso-spacerun:yes'>  </span>0.0718 LG mix coeff.:<span
 style='mso-spacerun:yes'>      </span>1.0000<o:p></o:p></span></h2>
 
@@ -2389 +2371 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=SpellE>Mustrain</span> model:
-isotropic equatorial:<span style='mso-spacerun:yes'>    </span><span
-style='mso-spacerun:yes'>   </span>961.3, sig:<span
-style='mso-spacerun:yes'>    </span>25.8 LG mix <span class=SpellE><span
-class=GramE>coeff</span></span><span class=GramE>.:</span><span
+style='mso-spacerun:yes'> </span>Mustrain model: isotropic equatorial:<span
+style='mso-spacerun:yes'>       </span>961.3, sig:<span
+style='mso-spacerun:yes'>    </span>25.8 LG mix coeff.:<span
 style='mso-spacerun:yes'>      </span>1.0000<o:p></o:p></span></h2>
 
@@ -2402 +2382 @@
 font-family:"Courier New";font-weight:normal'><span
 style='mso-spacerun:yes'> </span>Histogram:<span style='mso-spacerun:yes'> 
-</span>PWDR FAP.XRA Bank <span class=GramE>1<span style='mso-spacerun:yes'> 
-</span>histogram</span> Id:<span style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></h2>
+</span>PWDR FAP.XRA Bank 1<span style='mso-spacerun:yes'>  </span>histogram
+Id:<span style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2414 +2394 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Final refinement <span class=SpellE>wR</span>
-= 10.38% on 5751 observations in this histogram<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Other residuals: R = 8.12%, <span
-class=SpellE>Rb</span> = 8.36%, <span class=SpellE>wRb</span> = 10.23% <span
-class=SpellE>wRmin</span> = 5.61%<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>Final refinement wR = 10.38% on 5751
+observations in this histogram<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Other residuals: R = 8.12%, Rb = 8.36%, wRb =
+10.23% wRmin = 5.61%<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2437 +2416 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
-style='mso-spacerun:yes'>         </span>Scale<span
-style='mso-spacerun:yes'>    </span><span
-style='mso-spacerun:yes'>     </span>Shift<span style='mso-spacerun:yes'> 
-</span>Transparency<span style='mso-spacerun:yes'>    </span><span
-class=SpellE>SurfRoughA</span><span style='mso-spacerun:yes'>    </span><span
-class=SpellE>SurfRoughB</span><o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
-style='mso-spacerun:yes'>       </span>42.2873<span
-style='mso-spacerun:yes'>       </span>83.9821<span
+style='mso-spacerun:yes'> </span>names :<span style='mso-spacerun:yes'>        
+</span>Scale<span style='mso-spacerun:yes'>         </span>Shift<span
+style='mso-spacerun:yes'>  </span>Transparency<span
+style='mso-spacerun:yes'>    </span>SurfRoughA<span
+style='mso-spacerun:yes'>    </span>SurfRoughB<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>      
+</span>42.2873<span style='mso-spacerun:yes'>       </span>83.9821<span
 style='mso-spacerun:yes'>        </span>0.0000<span
-style='mso-spacerun:yes'>        </span>0.0000<span
-style='mso-spacerun:yes'>        </span>0.0000<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>       
-</span>0.1442<span style='mso-spacerun:yes'>        </span>0.3609<span
+style='mso-spacerun:yes'>        </span>0.0000<span style='mso-spacerun:yes'>  
+</span><span style='mso-spacerun:yes'>     </span>0.0000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>        </span>0.1442<span
+style='mso-spacerun:yes'>        </span>0.3609<span
 style='mso-spacerun:yes'>                                          </span><o:p></o:p></span></h2>
 
@@ -2471 +2447 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
-style='mso-spacerun:yes'>      </span>623.5<span style='mso-spacerun:yes'>    
-</span>405.2<span style='mso-spacerun:yes'>     </span>262.1<span
-style='mso-spacerun:yes'>       </span>154<span style='mso-spacerun:yes'>    
-</span>104.5<span style='mso-spacerun:yes'>     </span>71.38<span
-style='mso-spacerun:yes'>     </span>50.48<span style='mso-spacerun:yes'>    
-</span>49.97<span style='mso-spacerun:yes'>     </span>59.71<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
-style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>      
-</span>5.36<span style='mso-spacerun:yes'>     </span>3.124<span
-style='mso-spacerun:yes'>     </span>2.364<span style='mso-spacerun:yes'>    
-</span>1.785<span style='mso-spacerun:yes'>     </span>1.334<span
-style='mso-spacerun:yes'>     </span>1.016<span style='mso-spacerun:yes'>   
-</span>0.9211<span style='mso-spacerun:yes'>     </span>1.141<span
-style='mso-spacerun:yes'>     </span>1.451<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>value :<span style='mso-spacerun:yes'>     
+</span>623.5<span style='mso-spacerun:yes'>     </span>405.2<span
+style='mso-spacerun:yes'>     </span>262.1<span style='mso-spacerun:yes'>      
+</span>154<span style='mso-spacerun:yes'>     </span>104.5<span
+style='mso-spacerun:yes'>     </span>71.38<span style='mso-spacerun:yes'>    
+</span>50.48<span style='mso-spacerun:yes'>     </span>49.97<span
+style='mso-spacerun:yes'>     </span>59.71<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
+</span>:<span style='mso-spacerun:yes'>       </span>5.36<span
+style='mso-spacerun:yes'>     </span>3.124<span style='mso-spacerun:yes'>    
+</span>2.364<span style='mso-spacerun:yes'>     </span>1.785<span
+style='mso-spacerun:yes'>     </span>1.334<span style='mso-spacerun:yes'>    
+</span>1.016<span style='mso-spacerun:yes'>    </span>0.9211<span
+style='mso-spacerun:yes'>     </span>1.141<span style='mso-spacerun:yes'>    
+</span>1.451<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2498 +2474 @@
 
 <p class=MsoNormal>What we like to show is the unit cell contents with the PO<sub>4</sub><sup>-3</sup>
-ions as <span class=SpellE>tetrahedra</span> and the Ca and F atoms as balls.
-Begin by finding <b style='mso-bidi-font-weight:normal'><span style='font-family:
+ions as tetrahedra and the Ca and F atoms as balls. Begin by finding <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Phases/fap</span></b> in <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and
+selecting the <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Phases/<span
-class=SpellE>fap</span></span></b> in <b style='mso-bidi-font-weight:normal'><span
+minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Drawing
+Options</span></b> tab. The <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>GSAS-II data tree</span></b> and selecting the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Drawing Options</span></b> tab. The <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase data for <span class=SpellE>fap</span></span></b>
-window shows <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Drawing
-controls</span></b></p>
+minor-latin'>Phase data for fap</span></b> window shows <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>Drawing controls</span></b></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1031" type="#_x0000_t75" style='width:292.5pt;height:327pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_16" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:292.5pt;
+ height:327pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image016.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=390 height=436
-src="Laboratory%20X_files/image016.png" v:shapes="_x0000_i1031"><![endif]></span></p>
-
-<p class=MsoNormal>The plot will show a new tab marked <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b></span> showing some
-balls in various colors. A unit cell box is drawn with 3 colored edges (Red,
-Green &amp; Blue for a, b, c axes, respectively). A multicolored (RGB, again) 3D
-cross is at the center of the plot.</p>
+src="Laboratory%20X_files/image016.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
+
+<p class=MsoNormal>The plot will show a new tab marked <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>fap</span></b> showing some balls in various
+colors. A unit cell box is drawn with 3 colored edges (Red, Green &amp; Blue
+for a, b, c axes, respectively). A multicolored (RGB, again) 3D cross is at the
+center of the plot.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2538 +2513 @@
   cropbottom="18161f" cropleft="42255f" cropright="8056f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=490 height=419
-src="Laboratory%20X_files/image018.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
+src="Laboratory%20X_files/image025.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
 
 <p class=MsoNormal>Notice the slider controls in <b style='mso-bidi-font-weight:
@@ -2618 +2593 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Draw Atoms</span></b> table will have all of them listed. The <span
-class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Sym</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'> Op</span></b> column in the table
-shows the symmetry operator number and unit cell translation used to generate
-that position.</p>
+minor-latin'>Draw Atoms</span></b> table will have all of them listed. The <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Sym Op</span></b> column in the table shows
+the symmetry operator number and unit cell translation used to generate that
+position.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2679 +2651 @@
 Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. A small
 dialog bow will appear with a list of possible atom drawing styles. Notice the
-first one is blank; that will cause the atom to not be drawn. Select <span
-class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>polyhedra</span></b></span>
-and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+first one is blank; that will cause the atom to not be drawn. Select <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>polyhedra</span></b> and press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. Each <b
@@ -2698 +2670 @@
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>O</span></b> <span class=GramE>atoms.</span></p>
+mso-bidi-theme-font:minor-latin'>O</span></b> atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2709 +2681 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>OK</span></b>; the O atoms will vanish leaving some odd <span
-class=SpellE>polyhedra</span> and the Ca and F atoms.</p>
+minor-latin'>OK</span></b>; the O atoms will vanish leaving some odd polyhedra
+and the Ca and F atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2727 +2699 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Enter</span></b>; the odd <span class=SpellE>polyhedra</span> will
-immediately change to tetrahedra.</p>
+minor-latin'>Enter</span></b>; the odd polyhedra will immediately change to
+tetrahedra.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2783 +2755 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Define Custom Colors</span></b>, move the
-cross around on the spectrum display, set the vertical slider for the
-luminosity (<span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+Calibri;mso-bidi-theme-font:minor-latin'>Define Custom Colors</span></b>, move
+the cross around on the spectrum display, set the vertical slider for the
+luminosity (<b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>ColorSolid</span></b>
+will show the result), and then press <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>ColorSolid</span></b></span> will show the result), and then press
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. The drawing will now
-show that color for the atoms and the color will appear in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> table. If you
-don’t like your colors select <b style='mso-bidi-font-weight:normal'><span
+minor-latin'>OK</span></b>. The drawing will now show that color for the atoms
+and the color will appear in the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Edit/Reset atom colors</span></b> to put them back to their
-default colors. In my drawing I’ve made the Ca atoms a medium gray</p>
+minor-latin'>Draw Atoms</span></b> table. If you don’t like your colors select <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Edit/Reset atom colors</span></b> to
+put them back to their default colors. In my drawing I’ve made the Ca atoms a
+medium gray</p>
 
 <p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2807 +2779 @@
  <v:imagedata src="Laboratory%20X_files/image021.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=582 height=496
-src="Laboratory%20X_files/image022.png" v:shapes="Picture_x0020_288"><![endif]></span></p>
+src="Laboratory%20X_files/image026.png" v:shapes="Picture_x0020_288"><![endif]></span></p>
 
 <h2>Step 10. Calculate bond distances and angles</h2>
 
-<p class=MsoNormal>GSAS-II will compute all the distances and angles among all
-the atoms you select in the Atoms table with controls on the range of atom-atom
+<p class=MsoNormal>GSAS-II will compute all the distances and angles among all the
+atoms you select in the Atoms table with controls on the range of atom-atom
 distances to consider either globally or by atom type. </p>
 
@@ -2823 +2795 @@
 tab in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phases/<span class=SpellE>fap</span></span></b>.</p>
+Calibri;mso-bidi-theme-font:minor-latin'>Phases/fap</span></b>.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
-the first Ca atoms by clicking on its row label (<span class=GramE>an</span> “<b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>0</span></b>”). Add to the selection
-the other Ca atom and the P atom in the same way with the Ctrl key down; all
-will be highlighted in blue.</p>
+the first Ca atoms by clicking on its row label (an “<b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>0</span></b>”). Add to the selection the other
+Ca atom and the P atom in the same way with the Ctrl key down; all will be
+highlighted in blue.</p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
@@ -2869 +2841 @@
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>OK</span></b>. GSAS-II will then display on the console formatted
-tables of individual atom distances and angles with <span class=SpellE>esds</span>
-as appropriate for the two Ca atoms and the P atom.</p>
+tables of individual atom distances and angles with esds as appropriate for the
+two Ca atoms and the P atom.</p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase <span
-class=SpellE>fap</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase
+fap<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
@@ -2886 +2858 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>The lattice is centrosymmetric primitive
-hexagonal<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>The lattice is centrosymmetric primitive hexagonal<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
@@ -2899 +2870 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>The inversion center is located at 0<span
-class=GramE>,0,0</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>The inversion center is located at 0,0,0<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -2910 +2880 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span><span class=GramE>( 1</span>)<span
-style='mso-spacerun:yes'>     </span>X,<span style='mso-spacerun:yes'>    
-</span>Y,<span style='mso-spacerun:yes'>     </span>Z<span
-style='mso-spacerun:yes'>       </span>( 2)<span style='mso-spacerun:yes'>  
-</span>X-Y,<span style='mso-spacerun:yes'>  </span><span
-style='mso-spacerun:yes'>   </span>X, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span><span class=GramE>( 3</span>)<span
-style='mso-spacerun:yes'>    </span>-Y,<span style='mso-spacerun:yes'>  
-</span>X-Y,<span style='mso-spacerun:yes'>     </span>Z<span
-style='mso-spacerun:yes'>       </span>( 4)<span style='mso-spacerun:yes'>   
-</span>-X,<span style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span><span class=GramE>( 5</span>)<span
-style='mso-spacerun:yes'>   </span>Y-X,<span style='mso-spacerun:yes'>   
-</span>-X,<span style='mso-spacerun:yes'>     </span>Z<span
-style='mso-spacerun:yes'>       </span>( 6)<span style='mso-spacerun:yes'>    
-</span>Y,<span style='mso-spacerun:yes'>   </span>Y-X, 1/2+Z<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>( 1)<span style='mso-spacerun:yes'>    
+</span>X,<span style='mso-spacerun:yes'>     </span>Y,<span
+style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
+</span>( 2)<span style='mso-spacerun:yes'>   </span>X-Y,<span
+style='mso-spacerun:yes'>     </span>X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
+</span>-Y,<span style='mso-spacerun:yes'>   </span>X-Y,<span
+style='mso-spacerun:yes'>    </span><span
+style='mso-spacerun:yes'> </span>Z<span style='mso-spacerun:yes'>      
+</span>( 4)<span style='mso-spacerun:yes'>    </span>-X,<span
+style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>( 5)<span style='mso-spacerun:yes'>  
+</span>Y-X,<span style='mso-spacerun:yes'>    </span>-X,<span
+style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
+</span>( 6)<span style='mso-spacerun:yes'>     </span>Y,<span
+style='mso-spacerun:yes'>   </span>Y-X, 1/2+Z<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -2949 +2919 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell <span class=GramE>+(</span>sym. op.)<span
-style='mso-spacerun:yes'>      </span>dist.<span style='mso-spacerun:yes'>     
-</span>CA1<span style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
-style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
-style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
-style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
-style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><o:p></o:p></span></p>
+</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+style='mso-spacerun:yes'>      </span>CA1<span
+style='mso-spacerun:yes'>         </span>CA1<span
+style='mso-spacerun:yes'>         </span>CA1<span
+style='mso-spacerun:yes'>         </span>CA1<span
+style='mso-spacerun:yes'>         </span>CA1<span
+style='mso-spacerun:yes'>         </span>CA1<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>   </span>O6<span style='mso-spacerun:yes'>         
-</span><span class=SpellE>O6</span><o:p></o:p></span></p>
+</span>O6<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-2)<span
-style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-2)<span style='mso-spacerun:yes'>  
+</span>3.471(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-2)<span
-style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
+</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-2)<span style='mso-spacerun:yes'>  
+</span>3.415(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
-style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'>  
+</span>3.471(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
-style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
+</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'>  
+</span>3.415(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-6)<span
-style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
+</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-6)<span style='mso-spacerun:yes'>  
+</span>3.471(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span><span class=GramE>[ 1</span> 1 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-6)<span
-style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
+</span>[ 1 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-6)<span style='mso-spacerun:yes'>  
+</span>3.415(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
-style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'> 
+</span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>5)<span
-style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>5)<span style='mso-spacerun:yes'> 
+</span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0-1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>2)<span
-style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
+</span>[ 0 0-1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>2)<span style='mso-spacerun:yes'> 
+</span>2.4620(31)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 1</span> 1-1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>4)<span
-style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
+</span>[ 1 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>4)<span style='mso-spacerun:yes'> 
+</span>2.4620(31)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1-1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
-style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
+</span>[ 0 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
+</span>2.4620(31)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3045 +3015 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell <span class=GramE>+(</span>sym. op.)<span
-style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>F4<span
 style='mso-spacerun:yes'>          </span>O6<span
 style='mso-spacerun:yes'>          </span>O7<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'>          </span>O7<span
+style='mso-spacerun:yes'>          </span>O7<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>2.3012(11)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>2.3012(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
-style='mso-spacerun:yes'>   </span>2.350(4)<o:p></o:p></span></p>
+</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'>  
+</span>2.350(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>2.5128(30)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>2.5128(30)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
-style='mso-spacerun:yes'>  </span>2.3434(24)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
+</span>2.3434(24)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-3)<span
-style='mso-spacerun:yes'>  </span>2.3434(24)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-3)<span style='mso-spacerun:yes'> 
+</span>2.3434(24)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
-style='mso-spacerun:yes'>  </span>2.5128(30)<o:p></o:p></span></p>
+</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
+</span>2.5128(30)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3101 +3070 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell <span class=GramE>+(</span>sym. op.)<span
-style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>O5<span
 style='mso-spacerun:yes'>          </span>O6<span
@@ -3109 +3077 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>   </span>1.548(4)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'>  
+</span>1.548(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>   </span>1.569(4)<span style='mso-spacerun:yes'>  
-</span>110.37(23)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'>  
+</span>1.569(4)<span style='mso-spacerun:yes'>   </span>110.37(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
-</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
+style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
-style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
-</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<span
-style='mso-spacerun:yes'>  </span>108.74(23)<o:p></o:p></span></p>
+</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
+</span>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
+style='mso-spacerun:yes'>  </span>108.77(15)<span style='mso-spacerun:yes'> 
+</span>108.74(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal>There is probably too many bonds shown for the Ca1 atom and
@@ -3157 +3124 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase <span
-class=SpellE>fap</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase
+fap<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
@@ -3181 +3148 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>The inversion center is located at 0<span
-class=GramE>,0,0</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>The inversion center is located at 0,0,0<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3192 +3158 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span><span class=GramE>( 1</span>)<span
-style='mso-spacerun:yes'>     </span>X,<span style='mso-spacerun:yes'>    
-</span>Y,<span style='mso-spacerun:yes'>     </span>Z<span
-style='mso-spacerun:yes'>       </span>( 2)<span style='mso-spacerun:yes'>  
-</span>X-Y,<span style='mso-spacerun:yes'>     </span>X, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span><span class=GramE>( 3</span>)<span
-style='mso-spacerun:yes'>    </span>-Y,<span style='mso-spacerun:yes'>  
-</span>X-Y,<span style='mso-spacerun:yes'>     </span>Z<span
-style='mso-spacerun:yes'>       </span>( 4)<span style='mso-spacerun:yes'>   
-</span>-X,<span style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span><span class=GramE>( 5</span>)<span
-style='mso-spacerun:yes'>   </span>Y-X,<span style='mso-spacerun:yes'>   
-</span>-X,<span style='mso-spacerun:yes'>     </span>Z<span
-style='mso-spacerun:yes'>       </span>( 6)<span style='mso-spacerun:yes'>    
-</span>Y,<span style='mso-spacerun:yes'>   </span>Y-X, 1/2+Z<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>( 1)<span style='mso-spacerun:yes'>    
+</span>X,<span style='mso-spacerun:yes'>     </span>Y,<span
+style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
+</span>( 2)<span style='mso-spacerun:yes'>   </span>X-Y,<span
+style='mso-spacerun:yes'>     </span>X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
+</span>-Y,<span style='mso-spacerun:yes'>   </span>X-Y,<span
+style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
+</span>( 4)<span style='mso-spacerun:yes'>    </span>-X,<span
+style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span>( 5)<span style='mso-spacerun:yes'>  
+</span>Y-X,<span style='mso-spacerun:yes'>    </span>-X,<span
+style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
+</span>( 6)<span style='mso-spacerun:yes'>     </span>Y,<span
+style='mso-spacerun:yes'>   </span>Y-X, 1/2+Z<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3230 +3196 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell <span class=GramE>+(</span>sym. op.)<span
-style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>O5<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
+style='mso-spacerun:yes'>          </span>O5<span
+style='mso-spacerun:yes'>          </span>O5<span
 style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O6</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'>          </span>O6<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
-style='mso-spacerun:yes'>  </span>2.3860(28)<span style='mso-spacerun:yes'> 
-</span>74.44(11)<o:p></o:p></span></p>
+</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'> 
+</span>2.3860(28)<span style='mso-spacerun:yes'>  </span>74.44(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>5)<span
-style='mso-spacerun:yes'>  </span>2.3860(28)<span style='mso-spacerun:yes'> 
-</span>74.44(11)<span style='mso-spacerun:yes'>   </span>74.44(11)<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0-1]<span style='mso-spacerun:yes'> 
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>5)<span style='mso-spacerun:yes'> 
+</span>2.3860(28)<span style='mso-spacerun:yes'>  </span>74.44(11)<span
+style='mso-spacerun:yes'>   </span>74.44(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6 <span
+style='mso-spacerun:yes'>     </span>[ 0 0-1]<span style='mso-spacerun:yes'> 
 </span>+(<span style='mso-spacerun:yes'>   </span>2)<span
 style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'> 
@@ -3268 +3232 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 1</span> 1-1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>4)<span
-style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'>  
-</span>92.77(9)<span style='mso-spacerun:yes'>   </span>124.40(11)<span
-style='mso-spacerun:yes'>  </span>154.16(12)<span style='mso-spacerun:yes'> 
-</span>75.80(12)<o:p></o:p></span></p>
+</span>[ 1 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>4)<span style='mso-spacerun:yes'> 
+</span>2.4620(31)<span style='mso-spacerun:yes'>   </span>92.77(9)<span
+style='mso-spacerun:yes'>   </span>124.40(11)<span style='mso-spacerun:yes'> 
+</span>154.16(12)<span style='mso-spacerun:yes'>  </span>75.80(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1-1] <span
-style='mso-spacerun:yes'> </span>+(<span style='mso-spacerun:yes'>  
-</span>6)<span style='mso-spacerun:yes'>  </span>2.4620(31)<span
-style='mso-spacerun:yes'>  </span>154.16(12)<span style='mso-spacerun:yes'>  
-</span>92.77(9)<span style='mso-spacerun:yes'>   </span>124.40(11)<span
-style='mso-spacerun:yes'>  </span>75.80(12)<span style='mso-spacerun:yes'>  
-</span>75.80(12)<o:p></o:p></span></p>
+</span>[ 0 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
+</span>2.4620(31)<span style='mso-spacerun:yes'>  </span>154.16(12)<span
+style='mso-spacerun:yes'>   </span>92.77(9)<span style='mso-spacerun:yes'>  
+</span>124.40(11)<span style='mso-spacerun:yes'>  </span>75.80(12)<span
+style='mso-spacerun:yes'>   </span>75.80(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3297 +3259 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell <span class=GramE>+(</span>sym. op.)<span
-style='mso-spacerun:yes'>  </span><span
-style='mso-spacerun:yes'>    </span>dist.<span style='mso-spacerun:yes'>      
-</span>F4<span style='mso-spacerun:yes'>          </span>O6<span
+</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+style='mso-spacerun:yes'>       </span>F4<span
+style='mso-spacerun:yes'>          </span>O6<span
 style='mso-spacerun:yes'>          </span>O7<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><o:p></o:p></span></p>
+style='mso-spacerun:yes'>          </span>O7<span
+style='mso-spacerun:yes'>          </span>O7<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>2.3012(11)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>2.3012(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
-style='mso-spacerun:yes'>   </span>2.350(4)<span style='mso-spacerun:yes'>  
-</span>152.07(12)<o:p></o:p></span></p>
+</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'>  
+</span>2.350(4)<span style='mso-spacerun:yes'>   </span>152.07(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>2.5128(30)<span style='mso-spacerun:yes'>  
-</span>81.10(7)<span style='mso-spacerun:yes'>   </span>74.63(11)<o:p></o:p></span></p>
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>2.5128(30)<span style='mso-spacerun:yes'>   </span>81.10(7)<span
+style='mso-spacerun:yes'>   </span>74.63(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
-style='mso-spacerun:yes'>  </span>2.3434(24)<span style='mso-spacerun:yes'> 
-</span>102.85(8)<span style='mso-spacerun:yes'>    </span>85.36(8)<span
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
+</span>2.3434(24)<span style='mso-spacerun:yes'>  </span>102.85(8)<span
+style='mso-spacerun:yes'>    </span>85.36(8)<span style='mso-spacerun:yes'>  
+</span>135.15(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-3)<span style='mso-spacerun:yes'> 
+</span>2.3434(24)<span style='mso-spacerun:yes'>  </span>102.85(8)<span
+style='mso-spacerun:yes'>    </span>85.36(8)<span style='mso-spacerun:yes'>   
+</span>77.50(6)<span style='mso-spacerun:yes'>   </span>141.17(14)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
+</span>2.5128(30)<span style='mso-spacerun:yes'>   </span>81.10(7)<span
+style='mso-spacerun:yes'>   </span>74.63(11)<span style='mso-spacerun:yes'>  
+</span>58.76(12)<span style='mso-spacerun:yes'>    </span>77.50(6)<span
 style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-3)<span
-style='mso-spacerun:yes'>  </span>2.3434(24)<span style='mso-spacerun:yes'> 
-</span>102.85(8)<span style='mso-spacerun:yes'>    </span>85.36(8)<span
-style='mso-spacerun:yes'>    </span>77.50(6)<span style='mso-spacerun:yes'>  
-</span>141.17(14)<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
-style='mso-spacerun:yes'>  </span>2.5128(30)<span style='mso-spacerun:yes'>  
-</span>81.10(7)<span style='mso-spacerun:yes'>   </span>74.63(11)<span
-style='mso-spacerun:yes'>   </span>58.76(12)<span style='mso-spacerun:yes'>   
-</span>77.50(6)<span style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3363 +3322 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell <span class=GramE>+(</span>sym. op.)<span
-style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>O5<span
 style='mso-spacerun:yes'>          </span>O6<span
@@ -3371 +3329 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>   </span>1.548(4)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'>  
+</span>1.548(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>   </span>1.569(4)<span style='mso-spacerun:yes'>  
-</span>110.37(23)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'>  
+</span>1.569(4)<span style='mso-spacerun:yes'>   </span>110.37(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
-style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
-</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
+style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
-</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
-style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
-</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<span
-style='mso-spacerun:yes'>  </span>108.74(23)<o:p></o:p></span></p>
+</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
+</span>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
+style='mso-spacerun:yes'>  </span>108.77(15)<span style='mso-spacerun:yes'> 
+</span>108.74(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal>which is probably more reasonable.</p>
 
-<p class=MsoNormal>This concludes this tutorial for Rietveld refinement of <span
-class=SpellE>fluroapatite</span>.</p>
+<p class=MsoNormal>This concludes this tutorial for Rietveld refinement of
+fluroapatite.</p>
 
 <p class=MsoNormal style='margin-left:.25in'><o:p>&nbsp;</o:p></p>

Tutorials/LabData/Laboratory X_files/filelist.xml

@@ -9 +9 @@
  <o:File HRef="image005.png"/>
  <o:File HRef="image006.png"/>
- <o:File HRef="image007.png"/>
+ <o:File HRef="image024.png"/>
  <o:File HRef="image008.png"/>
  <o:File HRef="image009.png"/>
@@ -20 +20 @@
  <o:File HRef="image016.png"/>
  <o:File HRef="image017.png"/>
- <o:File HRef="image018.jpg"/>
+ <o:File HRef="image025.jpg"/>
  <o:File HRef="image019.png"/>
  <o:File HRef="image020.png"/>
  <o:File HRef="image021.png"/>
- <o:File HRef="image022.png"/>
+ <o:File HRef="image026.png"/>
  <o:File HRef="image023.png"/>
  <o:File HRef="filelist.xml"/>