Dear Mr. Werner,
actually I am wondering about your parameters. May it be that S310 is
instead S301??
I cannot check it at them moment, because I haven't GSAS installed
currently. If the former is the case, you use the hexagonal setting,
which I would also expect if you use also the hexagonal setting for the
crystal structure.
Best regards
Andreas Leineweber
Franz Werner wrote:
Hello All
Can anyone tell me how the indices of the S(hkl) parameters are treated in GSAS
in the case of a rhombohedral SG in hexagonal setting? Do the hkl refer to the
rhombohedral or hexagonal axes? I'm currently refining in SG R -3 (no. 148) in
hexagonal setting. Furthermore I'd like to know the expression of Gamma_S^2
(function of S400, S004, S202 and S310) for this SG as I can't find it in the
GSAS manual.
Thanks for your help.
Regards
Franz Werner
