[Ifeffit] how to consider Jahn-Teller distortion?

Enyuan Hu bearcharge at gmail.com
Mon Aug 8 19:47:52 CDT 2011


Dear all,

I'm trying to fit the Fe K-edge EXAFS data and I appreciate that Fe in my
sample mainly exists as Fe4+, which is associated with Jahn-Teller
distortion. The one shell model that considers Fe residing in the standard
octahedral apparently didn't give satisfactory result. I'm sorry that even
though I found people do fitting considering Jahn-Teller distortion, I am
still not aware of how to carry that out in Artemis. Can someone helps me to
look at my fitting and give me some guidance on how to implement fitting
that considers Jahn-Teller distortion in Artemis? Thank you.

-- 
Enyuan
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