Le Bail method in GSAS

Thomas.Hansen@cnrs-imn.fr
Tue, 30 May 1995 15:27:58 GMT

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Very recently I have tried to use GSAS (van Dreelen) instead of FullProf for
both Rietveld structure refinement and pattern matching. As for refinement it
is okay, but I do not manage to extract structure factors after the Le Bail
method. This method does not imply any structure model for obtaining structure
factors out of a powder diffraction pattern, but GSAS asks everytime to
introduce an atom position, also when I indicated that the Le Bail method
should be used. I am sure that I made some error and I would be grateful if
someone can help me to obtain reliable structure factors for structure
determination also by GSAS. Please mail to this mailing list (rietveld@xtal.
cmc.uab.edu) or to me (hansen@naimn2.cnrs-imn.fr or hansen@fluo.univ-lemans.fr).
Thanks, Thomas Hansen, Laboratoire des Fluorures, Le Mans, France

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