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Structural Modelling of Low‐Symmetry Phases of Spinels. II. Phases with 1:3 Octahedral Order
Author(s) -
Talanov V. M.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221620203
Subject(s) - isostructural , octahedron , phase transition , symmetry (geometry) , phase (matter) , crystallography , order (exchange) , condensed matter physics , basis (linear algebra) , symmetry group , group (periodic table) , materials science , chemistry , crystal structure , mathematics , physics , quantum mechanics , geometry , finance , economics
On the basis of the phenomenological theory of phase transitions the structural mechanism of ordering of octahedral cations of the type 1:3 in spinels is studied. With the help of the basic functions of the active six‐dimensional irreducible representations of the group Fd3m the structure of the ordered phase is deduced theoretically from the non‐ordered phase. The qualitative pictures of possible displacements of atoms near the temperature of the phase transition are given. The existence of isostructural modifications of the ordered structure is predicted.