The crystal structure of (Ho0.50Ca0.50)MnO3 and its evolution with Cr doping: a Rietveld refinement investigation

Description

Single-phase sHo0.50Ca0.50dMnO3 has been successfully prepared by means of solid state reaction at high temperature. Its crystal structure, as well as those of Cr-doped samples (Ho1−xCax)(Mn1−yCry)O3, has been refined by the Rietveld method, using X-ray powder diffraction data. All the examined compounds crystallize in the Pnma space group with a distorted perovskite-type structure. The distortion of the BO6 octahedra, due to the Jahn–Teller Mn3+ ionic species, decreases with the Cr content. Bond valence sum calculations were carried out using the refined results.

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