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Fe3O4
Dear colleagues,
I try to calculate XAFS spectra for Fe3O4.
Should I use ION card for more reliable result?
How I can use it in the case of inverse spinel structure, where Fe3+
and Fe2+ ions mixed in the octahedral sites?
What distribution of Fe and O atoms in the elementary sell (atoms.inp) will be in
the case of the rocksalt structure?
--
Best regards,
Dr. Anna Sidorenko mailto:Sidorenko@imp.uran.ru
Institute of Metal Physics
Russian Academy of Sincess
S.Kovalevskaya, str.18
GSP-170
620219 Ekaterinburg Russia
Tel: +7 3432 783863
Fax: +7 3432 745244
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- Re: Fe3O4
- From: Bruce Ravel <ravel@phys.washington.edu>