I just tried to compare four different software: FindIt, Diamond, PowderCell
and FullProf to calculate structure for alpha-alumina using ICSD #51687 file
(Materials Science Forum(2001), 378, 288-293,Unit Cell 4.7597(1) 4.7597(1)
12.9935(3)). I used the same geometry (Bragg-Brentano), wavelength, profile
parameters, no background, same space group settings. But all four patterns
have different intensity, and structure factors also (for software that
gives a possibility to get one). I can not understand why the structural
factors differ. The visualized structures are exactly the same. Maybe
somebody knows?
Thank you in advance,
Irina
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Irina Pozdnyakova
CNRS-CRMHT
1d, avenue de la Recherche Scientifique
45071 ORLEANS CEDEX 2
Tel 02 38 25 76 93
Fax 02 38 63 81 03
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