Dear all, Thank you very much for your prompt and kind suggestions.
Best regards, Ahmed Subrati ________________________________ From: Luca Lutterotti <luca.luttero...@unitn.it> Sent: Monday, September 2, 2019 7:22 AM To: Ahmed Subrati <assubr...@hotmail.com>; rietveld_l@ill.fr <rietveld_l@ill.fr> Subject: Re: Simultaneous refinement of multiple atoms sharing same site 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<mailto: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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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