[Ifeffit] Fit a mixture

[Matt Newville]

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 at yahoo.fr> wrote:

>
>   ------------------------------
>  *De :* kaziz sameh <kaziz_sameh at yahoo.fr>
> *À :* "ifeffit at millenia.cars.aps.anl.gov" <
> ifeffit at 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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--Matt
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