[Ifeffit] a question

Jason Gaudet jgaudet at vt.edu
Tue Aug 25 09:39:47 CDT 2009

Are you determining bond length from the magnitude of chi(R) or are you 
fitting ab initio data to the curves?  In my experience the |chi(R)| 
peaks are usually closer than the actual bond distances due to phase shift.

Dr Somaditya Sen wrote:
> Hi All
> I am having problems in comparing the real bond length as obtained 
> from EXAFS data and Reitveld analysis of XRD data of te same sample. 
> The bond lengths as observed from the XAFS data seems to be much 
> smaller that that from XRD. Is there some multiplication factor known 
> in literature to address this issue?
> S Sen
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Jason Gaudet
Environmental Catalysis and Nanomaterials Laboratory
Department of Chemical Engineering
Virginia Tech
147B Randolph Hall
Blacksburg, VA 24061
jgaudet at vt.edu

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