Determination of nanoparticle structure from diffuse scattering

The algorithms and programs for constructing the distribution of interatomic vectors in a nanoparticle from diffuse X-ray scattering data have been proposed and developed. It is shown that superposition methods can be used to determine the atomic structure of a nanoobject from such data. The technique proposed has been optimized and checked for an actual 3D cluster from the structure of the (Cd0.9Tb0.1)F2.1 solid solution. The cluster composition is [CdTb3F26].