Modelling graphite intercalates with adsorbed gases

Alan Hewat, ILL Grenoble ( hewat@fr.ill )
08 Aug 1994 10:12:15 +0000

Philip Reynolds <phil@rschp1.anu.edu.au> wrote:

> We are working on graphite intercalates with adsorbed gases. The XRD
> shows nicely indexable peaks with Warren-like lineshapes. Does anybody
> know how to model these profiles in a standard package. We have
> been using GSAS.

Philip, have a look at an article by Traecy, Newsam and Diam in Proc.Roy.Soc.
A433 p 499. The program for faulted 2D structures can be obtained from the
authors, and is also part of BioSym software (ask John Newsam). Jean Pannetier
here has adapted it to run on a Mac. (and hopefully a Silicon Graphics Indy ;-)

Alan Hewat, ILL Grenoble, FRANCE (hewat@ill.fr) Fax (France=33).76.48.39.06