[Ifeffit] a basic (?) EXAFS question

Juraj Majzlan juraj.majzlan at minpet.uni-freiburg.de
Sun Apr 17 09:44:39 CDT 2005


Hello,

I have a question about fitting an EXAFS dataset. The
compound is FeAs2, crystalline, and will be used as a model
for further study. I was able to fit the first three shells
very well. However, when I try to fit the fourth shell, I
either get amplitude that is too high (> 2, with large
errors), or 0.0. There are several single-scattering and
several multiple-scattering paths in that region.
Sometimes, only excluding one of the MS paths leads
immediately from amplitude of >2 to 0.0.

I'd appreciate any advise about what is the meaning of
these changes and the inability to fix the spectrum.

Attached are few pictures from Artemis.

Thank you,

Juro Majzlan


----------------------------------
Juraj Majzlan
Institute of Mineralogy and Petrology
Albert-Ludwig-University of Freiburg
Albertstrasse 23b
Freiburg, D-79104, Germany
telephone +49-761-203-6416
fax +49-761-203-6407
http://www.minpet.uni-freiburg.de
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