Re: Stacking fault analysis

Juan Alfredo Freites ( afreites@telcel.net.ve )
Wed, 14 Jan 1998 17:39:38 -0400

Charles,

Try DIFFaX by Treacy & Deem, this program can simulate PXRD patterns of
coherent stacking. However, it can't make automatic refinement. You can
download it from the IZA (International Zeolite Association) web site. If you
don't need powder output you can use DISCUS by Neder & Proffen you can
download it at www.kri.physik.uni-muenchen.de/crystal/discus/discus.html

J. Alfredo Freites
Departamento de Física
Facultad de Ciencias
Universidad Central de Venezuela

Charles Witham wrote:

> Hi I'm new to the list.
>
> I'm Charles Witham, a graduate student in Materials Science at Caltech. I
> started attempting Rietveld refinement to analyse x-ray diffraction data
> from metal-hydride alloys.
>
> Right now, we're starting to study Li-intercalation in graphite materials.
> I wonder if anyone knows of a Rietveld or other analysis program that
> outputs stacking fault analysis.
>
> I know it is relatively straightforward to calculate this from Rievtveld
> outputs, so I'll probably modify an existing program in any case.
>
> thanks,
>
> Charles Witham
>
> Graduate Research Assistant, Materials Science
> California Institute of Technology
> Mail Stop 138-78 ckw@hyperfine.caltech.edu
> Pasadena, CA 91125 (818) 395-3627
> fax -2940