[Pw_forum] seeking transition metal oxide atomic positions and cell vectors

Yaser Rehem yrehem at mac.com
Tue Mar 11 20:49:52 CET 2008

Dear All-

Can anyone provide me with a the atomic positions and cell vectors for  
an intercalated transition metal oxide, e.g. NaFe02, or LiCoO2, or  
LiNiO2, or LiMnO4 ...  you get the picture.

I've been unable to find any online.  I could make my own, but the  
structure is too large for me to relax in any reasonable time on my  
little system if the coordinates are far from optimal.

Thank you!

-Yaser Rehem
Rehem Research & Consulting

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