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Pseudo-symmetries of crystallographic coordination polyhedra. Application to forsterite and comparison with some EPR results

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Abstract

A quantitative analysis of the distortion of octahedral and tetrahedral coordination polyhedra with respect to perfect symmetry in crystal structures is presented. The distortion of a polyhedron is defined by all the fourfold and threefold pseudo-symmetries. Tests on the significance of the pseudo-symmetries are presented. In forsterite the results are compared to ones previously proposed, based on the pseudo-symmetry of fourth order expansion of the crystal field, and also compared to the pseudo-symmetries of the environment of Mn2+ and Gd3+ that were determined by electron paramagnetic resonance (EPR) measurements. Agreements and differences between these results are given.

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Gaite, J.M. Pseudo-symmetries of crystallographic coordination polyhedra. Application to forsterite and comparison with some EPR results. Phys Chem Minerals 6, 9–17 (1980). https://doi.org/10.1007/BF00308389

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