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
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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