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 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 V+4 in the internal list, > and I'm not sure > there is some at all. However, V+3 and V+5 ARE in the list. I would > suggest just > defining a mixed occupation of those. > > Daniel Toebbens >
