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. B 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.
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
-- Bruce Ravel ------------------------------------ bravel@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/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/