Unified approach for determining tetragonal tungsten bronze crystal structures - Archive ouverte HAL
Article Dans Une Revue Acta Crystallographica Section A : Foundations and Advances [2014-...] Année : 2014

Unified approach for determining tetragonal tungsten bronze crystal structures

Résumé

Tetragonal tungsten bronze (TTB) oxides are one of the most important classes of ferroelectrics. Many of these framework structures undergo ferroelastic transformations related to octahedron tilting deformations. Such tilting deformations are closely related to the rigid unit modes (RUMs). This paper discusses the whole set of RUMs in an ideal TTB lattice and possible crystal structures which can emerge owing to the condensation of some of them. Analysis of available experimental data for the TTB-like niobates lends credence to the obtained theoretical predictions.
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hal-04692906 , version 1 (10-09-2024)

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M. Smirnov, Pierre Saint-Grégoire. Unified approach for determining tetragonal tungsten bronze crystal structures. Acta Crystallographica Section A : Foundations and Advances [2014-..], 2014, 70 (3), pp.283-290. ⟨10.1107/S2053273314003994⟩. ⟨hal-04692906⟩

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