Thank you very much for your suggestion. We have Y2O3 in our lab. I will try it. Thank you very much.
Best regards, Huang ________________________________ From: GSAS-II <[email protected]> on behalf of [email protected] <[email protected]> Sent: Saturday, April 24, 2021 10:00:01 AM To: [email protected] Subject: GSAS-II Digest, Vol 303, Issue 1 Send GSAS-II mailing list submissions to [email protected] To subscribe or unsubscribe via the World Wide Web, visit https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii or, via email, send a message with subject or body 'help' to [email protected] You can reach the person managing the list at [email protected] When replying, please edit your Subject line so it is more specific than "Re: Contents of GSAS-II digest..." Today's Topics: 1. Re: Instrument parameters (Leopoldo Suescun) ---------------------------------------------------------------------- Message: 1 Date: Sat, 24 Apr 2021 11:53:27 -0300 From: Leopoldo Suescun <[email protected]> To: "Toby, Brian H." <[email protected]> Cc: Huang Liu <[email protected]>, Huang Liu via GSAS-II <[email protected]> Subject: Re: [GSAS-II] Instrument parameters Message-ID: <CAAeV=thdqva0vfz2a6zoen9th34vvag3y7ypty8cbnww2m2...@mail.gmail.com> Content-Type: text/plain; charset="utf-8" Hi Brian and Huang, 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. I hope it helps. Leo El lun, 19 abr 2021 a las 23:59, Toby, Brian H. via GSAS-II (< [email protected]>) escribi?: > Hi Huang, > > 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. > > 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. > > Brian > > On Apr 18, 2021, at 6:04 PM, Huang Liu via GSAS-II <[email protected]> > wrote: > > Hi, > > This is Huang Liu from the University of Utah. I am trying to use GSAS 2 > to do refinement on my data. > 1. I try to get the instrument parameters according to the tutorial > ( > https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm > ). > But the U parameters that I get are always negative, and the Rwp is above > 10. I am using the data generated by*Rigaku mini flex 600 *by *using SRM > Si 640d* as a standard sample for generating instrument profile > parameters. The attached file (Si-640d) is the original data. > Could you please help me generate the instrument profile? Thank you very > much. > 2. I try to import Ti2Fe4O phase into the GSAS2, but I failed. > Since this is the third phase that I want to import. May I ask is there a > phase quantities limit of import? > If not, is there anything wrong with my CIF file (I downloaded it from the > COD website? > Attached is the Ti2Fe4O cif card downloaded from COD website. > I would be very grateful if you can help me. Looking forward to your reply. > > Best regards, > Huang Liu > <Si-640d.ras><Ti4Fe2O.cif>_______________________________________________ > GSAS-II mailing list > [email protected] > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii > > > _______________________________________________ > GSAS-II mailing list > [email protected] > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii -- #YoUsoTapabocas y mantengo #DFS Prof. Agr. Dr. Leopoldo Suescun Cryssmat-Lab/DETEMA, Facultad de Qu?mica, Universidad de la Rep?blica. e-mail: [email protected] Tel: (+598) 29290705 Fax: (+598) 29241906* Mailing address: Cryssmat-Lab./DETEMA Facultad de Quimica Av. Gral. Flores 2124 Montevideo 11800 Uruguay Seguime en/Follow me at ResearchGate https://www.researchgate.net/profile/Leopoldo_Suescun ORC*ID*: https://orcid.org/0000-0002-7606-8074 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20210424/0f951807/attachment-0001.html> ------------------------------ Subject: Digest Footer _______________________________________________ GSAS-II mailing list [email protected] https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii ------------------------------ End of GSAS-II Digest, Vol 303, Issue 1 ***************************************
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