Compositionally induced phase transitions and symmetry relations between space groups in the layered system FeIn1−xYxGe2O7

Author:

Moreno-Tovar Rosario,Bucio Lauro,Rosales IvonneORCID,Orozco EligioORCID

Abstract

Symmetry reduction in the basic structure of thortveitite-type compound FeInGe2O7mC22 (C12/m1, No. 12) promoted by the incorporation of yttrium in the formula FeIn1−xYxGe2O7gives rise to a derivative structure called thortveitite-likeAA′Ge2O7mP44, with symmetry described by the space groupP121/m1 (No. 11) forx= 0.50, 0.75 and 0.90. The structure remains unchanged within the structural type of thortveitite whenx= 0.25. In order to establish structural models for performing a Rietveld refinement to the derivative structure, symmetry relations between space groups connecting the basic and derivative structures were used. The higher contrast to X-rays of Fe3+, In3+and Y3+as well as by the behaviour during the refinements of the isotropic thermal displacements, the values of interatomic distances and calculated bond-valence sums for each atom in the asymmetric unit, were helpful for elucidating the relocation of cations in the different available crystallographic sites generated by the symmetry reduction.

Funder

Consejo Nacional de Ciencia y Tecnología

Publisher

International Union of Crystallography (IUCr)

Subject

Materials Chemistry,Metals and Alloys,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

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