Dear Ahmed,
two different things should be distinguished:
- the physical possibility do the refinement
- the mathematical way do implement the constraints in eg Fullprof
Concerning the first point, as it has already been pointed out, it is
not possible to refine site occupancies of two atoms
Our chemical engineers like to make perovskites with about 6 elements in
two sites for their solid state fuel cells...
On Mon, 2 Sep. 2019, 16:15 Le Bail Armel, wrote:
> If more than 2 atoms sharing the same site, then fire the chemist...
>
> Armel
>
If more than 2 atoms sharing the same site, then fire the chemist...
Armel
++
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Adding a little bit to the previous answers,
aside from using neutron diffraction, on can also use anomalous
diffraction close to the absorption edge of the respective chemical
elements. This requires a synchrotron source in most cases (unless one
happens to have just the right exotic X-ray
Dear all,
Thank you very much for your prompt and kind suggestions.
Best regards,
Ahmed Subrati
From: Luca Lutterotti
Sent: Monday, September 2, 2019 7:22 AM
To: Ahmed Subrati ; rietveld_l@ill.fr
Subject: Re: Simultaneous refinement of multiple atoms sharing
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
