Dear Rietvelders:

My name is Efrain E. Rodriguez and I am a graduate student at the University of California, Santa Barbara and a graduate intern at the Lujan Neutron Scattering Center at the Los Alamos National Lab.

I want to calculate the atomic form factor vs. sin theta/ lambda (X-rays) for a cation with an oxidation state of 4+. I am currently using GSAS to do a combined neutron/X-ray structural refinement. I know that GSAS has some predefined atomic form factors for ions, but not for the one in my compound (Tc4+).

How can I calculate the coefficients so I can change the form factor function for this cation? Any help is much appreciated.

Cordially,

Efrain

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