>I'm trying to do some refinement on Zr-Y-O powders. I keep getting an error for the >space group P 42 / n m c S when I try to import the *.cif file for ICSD 90885 into >EXPGUI. Can someone tell me why?
>It seems I may have answered my own question. A space seems to be needed between the >4 and the 2. This seems to work. OK? I would be interested to hear what Brian Toby has to say, since 42/n is one of the symmetry elements and I would not expect it to be broken up with spaces (but then I am not sufficiently familiar with how GSAS does that). I would also be interested to know what EXPGUI/GSAS does with the trailing S in "P 42/n m c S" since this S is special to ICSD and means that the axes have been chosen to be not at a center of symmetry. Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]> fax (33) 4.76.20.76.48 (33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm ___________________________________________________________
