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Theory of the formation of P4 1 32(P4 3 32)-phase spinels

Theory of the formation of P4 1 32(P4 3 32)-phase spinels Abstract A group-theoretical, thermodynamic, and structural study of the formation of P4132(P4332) spinel modification has been performed. In particular, the occurrence of unique hyper-kagome atomic order is analyzed. The critical order parameter inducing a phase transition is established. It is shown that the calculated structure of the low-symmetry P4132(P4332) phase is formed as a result of displacements of atoms of all types and due to the cation and anion ordering. The problem of the occurrence of unique hyper-kagome atomic order in the structures of P4132(P4332) spinel modifications is considered theoretically. It is proven within the Landau theory of phase transitions that the P4132(P4332) phase can be formed from the high-symmetry Fd3m phase with an ideal spinel structure only as a result of first-order phase transition. Therefore, the formation of hyper-kagome sublattice in the P4132(P4332) phase is accompanied by a significant transformation of the spinel structure. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Crystallography Reports Springer Journals

Theory of the formation of P4 1 32(P4 3 32)-phase spinels

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References (49)

Publisher
Springer Journals
Copyright
2016 Pleiades Publishing, Inc.
ISSN
1063-7745
eISSN
1562-689X
DOI
10.1134/s1063774516020280
Publisher site
See Article on Publisher Site

Abstract

Abstract A group-theoretical, thermodynamic, and structural study of the formation of P4132(P4332) spinel modification has been performed. In particular, the occurrence of unique hyper-kagome atomic order is analyzed. The critical order parameter inducing a phase transition is established. It is shown that the calculated structure of the low-symmetry P4132(P4332) phase is formed as a result of displacements of atoms of all types and due to the cation and anion ordering. The problem of the occurrence of unique hyper-kagome atomic order in the structures of P4132(P4332) spinel modifications is considered theoretically. It is proven within the Landau theory of phase transitions that the P4132(P4332) phase can be formed from the high-symmetry Fd3m phase with an ideal spinel structure only as a result of first-order phase transition. Therefore, the formation of hyper-kagome sublattice in the P4132(P4332) phase is accompanied by a significant transformation of the spinel structure.

Journal

Crystallography ReportsSpringer Journals

Published: Mar 1, 2016

Keywords: Crystallography and Scattering Methods

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