If you have any knowledge about the distance between the Rb and Cl, you can use that to build a quick first shell FEFF calculation. You will also have to select a geometry but that is less important, I generally assume either tetrahedral or octahedral. Carlo On Wed, 30 Jul 2014, Karin Julius wrote:

Hello,

I'm trying to do a quick first shell fit with Artemis for my EXAFS measurement of 0.1 M auqeous solution of RbCl. I'm especially interested in the first hydration shell of the Rb ion. So I made an atoms input file with Rb and O in Rock salt structure. But how do I consider the Cl ion in the quick first shell fit? I don't think I can overlook the scattering on the Cl ions.

Best regards, Karin

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-- Carlo U. Segre -- Duchossois Leadership Professor of Physics Director, Center for Synchrotron Radiation Research and Instrumentation Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre@iit.edu http://phys.iit.edu/~segre segre@debian.org