[Ifeffit] Question about EXAFS fitting of mixtures

[Soyoung Kim]

Thank you for the replies. That's what I thought too. And good point, XANES
will be different for the two scenarios and it would not matter whether the
analysis is by LCA. (For the cat riddle, is it four cats in a circle with
each cat in each corner of a very small room? Not sure if I'm getting the
point of the riddle.)

If there are significant contributions from multiple scatterings in the
EXAFS, it would be possible to distinguish the two scenarios with EXAFS,
right? But practically, I feel it would be difficult unless the data
quality is very high.

Best,
Soyoung

On Mon, May 15, 2023, 6:33 PM Anatoly Frenkel <
anatoly.frenkel at stonybrook.edu> wrote:

> That question reminds me of a Russian riddle:
> In each corner of a room there is a cat. In the eyes of each cat there are
> three cats. On the tail of each cat there is a cat. How many cats are there?
>
> Anatoly
>
> > On May 15, 2023, at 7:09 PM, Soyoung Kim <soykim at lbl.gov> wrote:
> >
> > 
> > Dear all,
> >
> > While fitting EXAFS for tiny Pt nanoparticles, a simple question
> occurred to me. For these two scenarios:
> > 1. All Pt atoms are coordinated to 3 O atoms and 3 Pt atoms each.
> > 2. Half of the Pt atoms are coordinated to 6 O atoms and half to 6 Pt
> atoms.
> >
> > If we fit only single-scattering paths, would it be possible to tell
> apart these two scenarios with EXAFS fitting? What about linear combination
> analysis of the XANES?
> >
> > Thank you,
> > Soyoung
> >
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