[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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