[Ifeffit] Sorbed complex in Atoms

Gnu script iam.gnu.py at gmail.com
Thu Jun 9 09:25:08 CDT 2016

Dear All,

I am relatively new to Ifeffit and Artemis. I am trying to find a way to
create four-shell model of an outer-sphere complex in Atoms or some other
way readable by Atoms. I have no idea about the geometry, space group but
some rough guess of bond-distances. The model to test against the EXAFS
data is:
Ni is the central atom
Ni-O first shell
Ni-Ni second shell
Ni-Ti third shell
Ni-Si fourth shell

The model aims to test the adsorption of Ni on the surface of Ti-containing
silicate mineral.

Could you please help.

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