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

Reply via email to