Broad peaks... could the Y2O3 need to be annealed?  - Kurt

________________________________

From: Leonid Solovyov [mailto:[EMAIL PROTECTED]
Sent: Fri 12/5/2008 8:14 AM
To: rietveld_l@ill.fr
Subject: Re: Can anybody do me a favor to refine my Y2O3?



Dear  Li,

I don't use GSAS, but I refined your data using the DDM program that gave 
nearly perfect fit. The DDM parameters file is attached and the program is 
freely available from
http://www.icct.ru/eng/content/persons/Sol_LA/ddm.html
or
http://www.geocities.com/l_solovyov/ddm.html

I must note, however, that the diffraction peaks in your pattern are very broad 
which may indicate a misalignment of your instrument or some problems with the 
X-ray tube. For this setup of X'Pert MPD the width of peaks below 60 degrees 
2theta should be less that 0.1, but your width is around 0.3 - too big!

Best regards,
Leonid

*******************************************************
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
660049, K. Marx 42, Krasnoyarsk, Russia
www.icct.ru/eng/content/persons/Sol_LA
www.geocities.com/l_solovyov
*******************************************************

--- On Fri, 12/5/08, Mingtao Li <[EMAIL PROTECTED]> wrote:

> From: Mingtao Li <[EMAIL PROTECTED]>
> Subject: Can anybody do me a favor to refine my Y2O3?
> To: "Rietveld_l" <rietveld_l@ill.fr>
> Date: Friday, December 5, 2008, 2:07 PM
> To all,
>         I am learning rietveld refinement. First I want to
> get my
> instrumental parameter file. So I collected xrd pattern of
> cubic Y2O3
> on a X'pert pro MPD diffractiometer. The experimental
> conditions were
> listed as following:
>
> Cu KAlpha:
>    KAlpha1:1.5405980
>    KAlpha2:1.5444260
> ratio KAlpha2/KAlpha1:0.5000
>
> Incidental Beam Path:
>        soller slit:0.02rad
>        divergence slit 1 degree
>        anti-scatter slit 2 degree
>        incidental mask 10 mm
>
> Goniometer Radius 240mm
>
> Diffracted Beam Path
>         antiScatterSlit: AS Slit 6.6mm
>         sollerSlit:0.02rad
>         filter:nickel (thickness:0.02mm)
> Detector:X'Celerator
>
> The xrdml attached is the original pattern file. The cif
> file of cubic
> Y2O3 and gsa file of the pattern are also attached.
>
> I have tried to do the refinement using GSAS many times
> following the
> instructions from http://www.cins.ca/cpdw/notes.html., but
> the results
> were quite different every time, especially the unit cell.
> Now I am
> very confused. Why did that happen? Shouldn't I refine
> S/L and H/L? So
> here I am for help. Can anyone do me a favor to refine my
> Y2O3 give a
> "standard" result?
>
> Thanks in advance.
>
> --
> **********************************************************************
> Mingtao Li,     Ph.D. Candidate
> State Key Laboratory of Multiphase Flow in Power
> Engineering
> School of Energy and Power Engineering, Xi'an Jiaotong
> University
> No.28, Xianning West Road, Xi'an, Shaanxi, 710049, P.R.
> China
> Tel: +86-29-82668296-11                      Fax:
> +86-29-82669033
> E-mail: mingtao dot li at gmail dot com
> **********************************************************************


      


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