[Ifeffit] 8 coordination crystal

Richard Mayes rtmayes at gmail.com
Tue Sep 15 14:47:01 CDT 2009


Mohamed,

Are you trying to use the simple first shell analysis or is this from the
feff calculation?  (an example project file to look at would be helpful)

You can find tutorials at
http://www.xafs.org/Tutorials<http://www.xafs.org/Tutorials>that will
guide you through both Athena and Artemis.

-Richard

On Tue, Sep 15, 2009 at 3:24 PM, mohamed sobhy <bakhshwan1981 at yahoo.com>wrote:

>  Dear
> I am trying to simulate CeO2 crystal lattice but I found that in Artemis
> documentations the following
>
> *Currently the following coordination geomatries are available:*
> ** 4-coordinate crystal*
> ** 6-coordinate crystal*
> ** octahedral molecule*
> ** tetrahedral molecule*
> ** square-planar molecule*
> **
> CeO2 has coordination no of 8, so what is the meaning of that
>
> Also is there any manual or working examples for Artemis
>
> Thnaks
>
> Mohamed
>
>
>
>
>
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