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

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.

powder diffraction; structure solution; X-ray diffraction; multiphase powder diffraction; Rietveld refinement

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