[Ifeffit] EXAFS on multi phase systems

Bruce Ravel bravel at bnl.gov
Thu May 5 09:59:52 CDT 2011


Shelly's paper on mixed phase uranyl species should be required
reading for anyone serious about EXAFS analysis.  It's not precisely
the scenario you ask about, but is sufficiently similar conceptually
that you would do well to study this paper carefully.

   Geochimica et Cosmochimica Acta 66:22, (2002), 3855-3871 

Like Scott, many of the people who respond frequently on this mailing
list have written papers that would be useful to study to understand
how to approach your problem.  A few minutes with Google Scholar
would populate a large and useful reading list.

Given that you specifically mentioned crystalline materials, you might
want to read up on DAFS.


On Thursday, May 05, 2011 10:46:33 am Scott Calvin wrote:
> Hi Jatinkumar,
> It's fairly common to do so. With linear combination analysis or
> principle component analysis, it's necessarily the case. But it's also
> done with modelling using FEFF. I personally have published many
> papers of this type. One early paper of mine that does this is:
> “X-ray absorption spectroscopy of highly-cycled Li/CPE/FeS2 cells,” E.
> Strauss, S. Calvin, H. Mehta,* D. Golodnitksy, S. G. Greenbaum, M. L.
> denBoer, V. Dusheiko, and E. Peled, Solid State Ionics 164, 51 (2003).
> --Scott Calvin
> Sarah Lawrence College
> On May 5, 2011, at 12:26 AM, Jatinkumar Rana wrote:
> > Dear ifeffit users,
> > 
> > I was wondering if one could apply EXAFS to multi-phase systems (e.g.
> > two phase systems) where both phases could be crystallographically
> > different but contain same absorbing atom.
> > 
> > Can anyone suggest any literature which dealt with such a problem ??
> > 
> > With best regards,
> > 
> > Jatinkumar Rana


 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

More information about the Ifeffit mailing list