Re: GSAS: Microstrain parameters in rhombohedral SGs

2008-10-27 Thread Andreas Leineweber
Dear Mr. Werner, this sounds for me like that there would be a problem in GSAS. If you look to the formulas at page 155 of the GSAS manual, in all trigonal/rhombohedral Laue groups there is no separate S004 for rhombohedral settings (in fact S400 = S004). But for the hexagonal settings (not

Re: GSAS: Microstrain parameters in rhombohedral SGs

2008-10-27 Thread Franz Werner
Dear Mr Leineweber > actually I am wondering about your parameters. May it be that S310 is > instead S301?? > 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. Thanks for your comment. I just

Re: GSAS: Microstrain parameters in rhombohedral SGs

2008-10-27 Thread Andreas Leineweber
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

Re: GSAS: Microstrain parameters in rhombohedral SGs

2008-10-26 Thread Leonid Solovyov
Phone: +7 3912 495663 Fax: +7 3912 238658 www.icct.ru/eng/content/persons/Sol_LA *** --- On Sun, 10/26/08, Franz Werner <[EMAIL PROTECTED]> wrote: > From: Franz Werner <[EMAIL PROTECTED]> > Subject: GSAS: Microstrain paramete

GSAS: Microstrain parameters in rhombohedral SGs

2008-10-26 Thread Franz Werner
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