Hi Abhijeet, Sorry, I guess Cu2O is coordinated by 2 oxygen atoms and 12 cu atoms. If the cluster of atoms that you give to FEFF doesn't match the structure of the sample then the fit will not work. But I think that your structure isn't obviously wrong. Cheers, Shelly On Thu, Jan 21, 2010 at 12:36 PM, Abhijeet Gaur wrote:

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Hi Abhijeet,

I think that there is a problem with you structure for Cu2O.  Each Cu atoms must be coordinated by more than just two O atoms in the first shell.

Shelly

Hi Madam,

Is there any problem with the theoretical structure that I generated in Artemis or my experimental data???, I am not getting it.

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