Hello XAFS friends.

I would like to know how to create a structure model for a molecule that was measured with EXAFS, then modeled using the typical strategies? - So, in the end you have some distances and bond angles from the central atom to the first, and maybe second neighbor.

I was thinking that you start from a similar crystal structure and then adapt that model using the numbers you got from EXAFS fitting, using for example the Vesta program.

Best wishes,

Lisa.