Kaziz,

I think that the reason you haven't received an answer might be that no one really understands what your question is.   For example. I don't know any details of what you're working on and cannot tell if the question is about the mechanics of performing a fit with mixed sites or about the interpretation of the results.  I suspect that if you asked a more direct question you might get an answer from someone.


On Tue, Dec 2, 2014 at 3:35 AM, kaziz sameh <kaziz_sameh@yahoo.fr> wrote:

De : kaziz sameh <kaziz_sameh@yahoo.fr>
À : "ifeffit@millenia.cars.aps.anl.gov" <ifeffit@millenia.cars.aps.anl.gov>
Envoyé le : Jeudi 27 novembre 2014 10h13
Objet : [Ifeffit] Fit a mixture

Dear All,
I look for advice or document that can help me to fit the FT EXAFS data of Pd2Au36(SR)24.
The situation is as follows:
In the sample there is 3 sites of the Pd ( in staples, in surface or in the core). the spectrum that I have presents  a first bond of Pd_S and second bond of Pd_Au, so the palladium should be in the staples or in the surface because in core we cannot see Pd-S, but other results of the same sample confirm that the palladium is in core.
I concluded that there is a mixture of some nano (x ) with Pd in staple and another nano(y) with Pd in core  such y>x.
Note that I fit the data with Pd2Au36(SR)24 structure in which I put the 2 palladium in the staple and I have got a good fit (attached) but I think that is not logical.
If you can help me with an idea how to fit this mixture, I would be very grateful.
Kaziz.
 

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