<div dir="ltr">Hi Brian and Huang,<div>I use Y2O3 for this purpose. It is not very expensive and got a reasonable amount of peaks at low angles. In order to minimize size and microstrain effects, I fire pure Y2O3 for 3 days at 1200 °C.</div><div>I hope it helps.</div><div>Leo</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">El lun, 19 abr 2021 a las 23:59, Toby, Brian H. via GSAS-II (<<a href="mailto:gsas-ii@aps.anl.gov">gsas-ii@aps.anl.gov</a>>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div style="overflow-wrap: break-word;">
Hi Huang,
<div><br>
</div>
<div> First of all Si is not a good standard to use for instrument parameters. It has no peaks at low angle. LaB6 is a better choice. If you do not have that, perhaps others seeing this can recommend something readily available with plenty of sharp
peaks. </div>
<div><br>
</div>
<div> GSAS-II has no limits on the number of phases that can be read, but there was a bug with reading that particular CIF. In it the element types were specified as Ti0, Fe0 and O0 which GSAS-II could not process. I have repaired this bug in version
#4887. </div>
<div><br>
</div>
<div>Brian</div>
<div>
<div><br>
<blockquote type="cite">
<div>On Apr 18, 2021, at 6:04 PM, Huang Liu via GSAS-II <<a href="mailto:gsas-ii@aps.anl.gov" target="_blank">gsas-ii@aps.anl.gov</a>> wrote:</div>
<br>
<div>
<div id="gmail-m_-5511404955522629226divtagdefaultwrapper" dir="ltr" style="font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;font-size:12pt;font-family:Calibri,Helvetica,sans-serif">
<div style="margin-top:0px;margin-bottom:0px">Hi, </div>
<div style="margin-top:0px;margin-bottom:0px"><br>
</div>
<div style="margin-top:0px;margin-bottom:0px">This is Huang Liu from the University of Utah. I am trying to use GSAS 2 to do refinement on my data.</div>
<div style="margin-top:0px;margin-bottom:0px"><span style="font-size:12pt">1.</span><span style="font-size:12pt"> </span><span style="font-size:12pt">I try to get the instrument parameters according to the tutorial</span></div>
<div style="margin-top:0px;margin-bottom:0px"><span style="font-size:12pt"> (</span><a href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm" id="gmail-m_-5511404955522629226LPlnk164859" style="font-size:12pt" target="_blank">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm</a><span style="font-size:12pt">)</span><span style="font-size:12pt">. </span></div>
<div style="margin-top:0px;margin-bottom:0px"><span style="font-size:12pt">But the U parameters that I get are always negative, and the Rwp is above 10</span><span style="font-size:12pt">. I am using the data generated by</span><b style="font-size:12pt">Rigaku
mini flex 600<span> </span></b><span style="font-size:12pt">by<span> </span></span><b style="font-size:12pt">using SRM Si 640d</b><span style="font-size:12pt"><span> </span>as
a standard sample for generating instrument profile parameters.</span><span style="font-size:12pt"> The attached file (Si-640d) is the original data. </span><br>
</div>
<div style="margin-top:0px;margin-bottom:0px">Could you please help me generate the instrument profile? Thank you very much.</div>
<div style="margin-top:0px;margin-bottom:0px">2. I try to import Ti2Fe4O phase into the GSAS2, but I failed.</div>
<div style="margin-top:0px;margin-bottom:0px">Since this is the third phase that I want to import. May I ask is there a phase quantities limit of import? </div>
<div style="margin-top:0px;margin-bottom:0px">If not, is there anything wrong with my CIF file (I downloaded it from the COD website?</div>
<div style="margin-top:0px;margin-bottom:0px">Attached is the <span style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols;font-size:16px">Ti2Fe4O
cif card downloaded from COD website.</span></div>
<div style="margin-top:0px;margin-bottom:0px">I would be very grateful if you can help me. Looking forward to your reply.</div>
<div style="margin-top:0px;margin-bottom:0px"><br>
</div>
<div style="margin-top:0px;margin-bottom:0px">Best regards,</div>
<div style="margin-top:0px;margin-bottom:0px">Huang Liu</div>
</div>
<span id="gmail-m_-5511404955522629226cid:E70B64A9-4FB2-4F1A-B79D-45E36EBDE325@hsd1.il.comcast.net."><Si-640d.ras></span><span id="gmail-m_-5511404955522629226cid:BF5167F2-EEB8-4CFD-81E1-3D67F628EC6C@hsd1.il.comcast.net."><Ti4Fe2O.cif></span><span style="font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline">_______________________________________________</span><br style="font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none">
<span style="font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline">GSAS-II
mailing list</span><br style="font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none">
<a href="mailto:GSAS-II@aps.anl.gov" style="font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" target="_blank">GSAS-II@aps.anl.gov</a><br style="font-family:Helvetica;font-size:14px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none">
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</blockquote>
</div>
<br>
</div>
</div>
_______________________________________________<br>
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<a href="https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii" rel="noreferrer" target="_blank">https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii</a></blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div dir="ltr"><div><span style="font-size:12.8px">#YoUsoTapabocas y mantengo #DFS</span></div><div><span style="font-size:12.8px"><br></span></div></div><div dir="ltr"><span style="font-size:12.8px">Prof. Agr. Dr. Leopoldo Suescun </span><br style="font-size:12.8px"><span style="font-size:12.8px">Cryssmat-Lab/DETEMA, Facultad de Química, Universidad de la República.<br></span><span style="font-size:12.8px">e-mail: </span><a href="mailto:leopoldo@fq.edu.uy" style="font-size:12.8px" target="_blank">leopoldo@fq.edu.uy</a><span style="font-size:12.8px"> </span></div><div dir="ltr"><span style="font-size:12.8px">Tel: (+598) 29290705</span><br style="font-size:12.8px"><span style="font-size:12.8px">Fax: (+598) 29241906*</span></div><div dir="ltr"><span style="font-size:12.8px">Mailing address: </span></div><div dir="ltr"><span style="font-size:12.8px">Cryssmat-Lab./DETEMA </span></div><div dir="ltr"><span style="font-size:12.8px">Facultad de Quimica <br>Av. Gral. Flores 2124 </span></div><div dir="ltr"><span style="font-size:12.8px">Montevideo 11800 </span></div><div dir="ltr"><span style="font-size:12.8px">Uruguay</span></div><div dir="ltr"><span style="font-size:12.8px"><br></span></div><div><span style="font-size:12.8px">Seguime en/Follow me at <font face="georgia, serif" color="#ffffff" style="background-color:rgb(69,129,142)">ResearchGate</font></span></div><div><div><a href="https://www.researchgate.net/profile/Leopoldo_Suescun" style="font-size:12.8px" target="_blank">https://www.researchgate.net/profile/Leopoldo_Suescun</a></div><div><span style="font-size:12.8px"><br></span></div></div><div><span style="font-size:12.8px">ORC<b><font color="#6aa84f">ID</font></b>: </span><span style="font-size:12.8px"><a href="https://orcid.org/0000-0002-7606-8074" target="_blank">https://orcid.org/0000-0002-7606-8074</a></span></div></div></div>