Re: FullProf problem

2006-09-28 Thread Lubomir Smrcok
Well, if the only error in such a refinement were V0 instead of V4+ ... Forget it and go on with neutral species. BTW, I wonder if a single crystal refinement could distinguish between V4+ and V0 except for a highly ionic compound ... Lubo On Thu, 28 Sep 2006, Daniel Toebbens wrote: > Stanislav

Re: FullProf problem

2006-09-28 Thread Daniel Toebbens
Stanislav Ferdov schrieb: Dear All, I am trying to refine the structure of a porous vanadoslicate, however FullProf does not recognize the scattering coefficient of V4+. Does somebody know how I could modify the pcr file in order to work with V4+? Well, there just is no scattering factor for

FullProf problem

2006-09-28 Thread Stanislav Ferdov
Dear All, I am trying to refine the structure of a porous vanadoslicate, however FullProf does not recognize the scattering coefficient of V4+. Does somebody know how I could modify the pcr file in order to work with V4+? Many thanks in davance, Stanislav __

Re: Question

2006-09-28 Thread Simon Billinge
Andy sent this accidentally to the list, but since it went there I will reply to the list The PDF is also the simple sum of the two phases. Our PDFfit profile fitting program allows fitting multiple phases in much the same way as Rietveld programs. The program can be downloaded from so