[Ifeffit] MoS2 fit

[Bruce Ravel]

On Thursday 11 November 2004 01:12 pm, Grant Bunker wrote:
> I haven't played with these data or this analysis, but the difficulty in
> fitting the known structure may suggest a problem with the data.
>
> One experimental problem that springs to mind, since MoS2 is a layered
> structure, is whether there might be a preferred orientation in the sample
> particles, i.e. the particles might not be randomly oriented. Since
> the x-ray beam is polarized this could cause some serious weirdness in the
> XAFS fitting (if the polarization weren't explicitly considered).

If preferred orientation is indeed the culprit, that could be determined by 
comparing a diffractogram of the sample used in the XAS experiment with the 
calculated peak ratios.

B

-- 
 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
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