Could be helpful: RbBr, KBr, RbCl, AgBr(x)Cl(1-x) etc.l:
A. Frenkel, E. A. Stern, M. Qian, and M. Newville,
Multiple - scattering x-ray-absorption fine-structure analysis and thermal
expansion of alkali halides,
Phys. Rev. B 48 , 12449 (1993).
A. Frenkel, E. A. Stern, A. Voronel, M. Qian, and M. Newville,
Buckled crystalline structure in mixed ionic salts,
Phys. Rev. Lett., 71 , 3485 (1993).
A. Frenkel, E. A. Stern, A. Voronel, M. Qian, and M. Newville,
Solving the structure of disordered mixed salts,
Phys. Rev. B 49 , 11662 (1994).
A. Frenkel, A. Voronel, A. Katzir, M. Newville, and E. A. Stern,
Buckled crystalline structure of disordered mixed salts,
Physica B 208 209 , 334 (1995).
Anatoly
From: ifeffit-boun...@millenia.cars.aps.anl.gov on behalf of Joseph Washington
Sent: Wed 4/1/2009 1:55 PM
To: XAFS Analysis using Ifeffit
Subject: [Ifeffit] Mixed Multiple scattering shell
Hello all,
I was wondering if anyone can send any useful hints or tips for parameterizing
a mixed multiple scattering shell comprised of two NaCl type strucutres, like
the AgBr(1-x)Cl(x) example. Has anyone worked on fitting the third shell in
that example? I am looking for examples of nacl rocksalt-like FEFF calculations
that have successfully parametrized multiple scattering path contributions.
Right now, after running feff, I'm using a different delr / ss term for each
multiple scattering path I include. Does anyone have any clever ways of
representing these in terms of the delr/ss in the first shell? Also, FEFF is
telling me that the amp and mixing terms are almost completely correlated and
this cause the amp term to blow up.
Thanks all, I really appreciate the assistance!
Joseph
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