Crystal structure of copper(ii) citrate monohydrate solved from a mixture powder X-ray diffraction pattern

Abstract

The crystal structure of copper(ii) citrate monohydrate (C6H4O7Cu2·H2O) has been solved from a mixture powder diffraction pattern. Approach to indexing, structure solution and Rietveld refinement of multiphase diffraction patterns is discussed. Rietveld refinement is carried out employing free-atom refinement and rigid body refinement.