With 3 atoms, as Larry and Alan explain it cannot be done unless you have additional info (e.g. chemical info). In our lab, if the three atoms or at least 2 are in the range for XRF, we do a combined XRD+XRF refinement.
Luca -----------------------Luca Lutterotti-------------------------------------------- Dipartimento di Ingegneria Industriale, Universita' di Trento, via Sommarive, 9, 38123 Trento, Italy e-mail address : luca.luttero...@unitn.it <mailto:luca.luttero...@ing.unitn.it> Maud page : http://maud.radiographema.com <http://maud.radiographema/> Phone number :+39-0461-28-2414 XRD lab:: +39-0461-282434 Fax : +39-0461-28-1977 ---------------------------------------------------------------------------------------- > On 31 Aug 2019, at 16:44, Ahmed Subrati <assubr...@hotmail.com> wrote: > > Dear all, > > I wanted to ask how three atoms, sharing the same xyz position, could be > refined in terms of their occupancies via FullProf. We know that for the case > of two atoms, the first atom is set as 11.0 and the second one as -11.0 so > that their sum is unity, but how would be the case for three atoms. > > Thank you very much. > > King regards, > Ahmed Subrati > PhD student > NanoBioMedical Centre | Adam Mickiewicz University in Poznan, Poland > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list <alan.he...@neutronoptics.com > <mailto:alan.he...@neutronoptics.com>> > Send commands to <lists...@ill.fr <mailto:lists...@ill.fr>> eg: HELP as the > subject with no body text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > <http://www.mail-archive.com/rietveld_l@ill.fr/> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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