[Ifeffit] Sorbed complex in Atoms

Bruce Ravel bravel at bnl.gov
Thu Jun 9 09:58:23 CDT 2016

This is an very vague and open-ended question.

Have you read any of the very extensive literature applying EXAFS to 
outer-sphere complexation?  Have you tried anything ... anything at all 
... to solve your problem?

If you ask specific questions, you will get good answers.  If you ask 
folks on the list to do your work for you, that won't go so well.


On 06/09/2016 10:25 AM, Gnu script wrote:
> 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.
> Thanks.
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  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
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