Synchrotron X-ray and neutron powder diffraction studies of the structure of α-CrPO₄

The crystal structure of α-CrPO₄, previously solved from high-resolution synchrotron powder X-ray data, has been refined by the Rietveld method. The peak shape variation is well fitted by a convolution of Gaussian and Lorentzian terms, which incorporate both instrumental and sample-broadening contributions. The structure has also been refined using medium-resolution neutron diffraction data, and the results of the two experiments are compared with a reported single-crystal study. The three sets of coordinates are found to be in good agreement, demonstrating the potential of structure determination and refinement using powder data.