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- W2029752457 abstract "A description of the tilt of octahedra in ABX 3 perovskite-related structures is proposed that can be used to extract the unique values for the tilt parameters φ, θ and δ of ABX 3 structures with regular and distorted octahedra up to the point symmetry bar 1, from atomic coordinates and lattice parameters. The geometry of the BX 6 octahedron is described by three B — X bond lengths ( r 1 , r 2 , r 3 ) and three X — B — X bond angles (ψ 12 , ψ 13 and ψ 23 ) or alternatively by a local strain tensor together with an average B — X bond length. Connections between the proposed method and Glazer's tilt system are discussed. The method is used to analyze structural transformations of I 2/ c , Pbnm and Immm structures. The proposed description allows the analysis of group–subgroup relations for the ABX 3 structures with distorted octahedra, in terms of octahedral deformations and tilting. The method might also be of interest in the study of the phase transitions in the family of ABX 3 structures." @default.
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- W2029752457 date "2007-03-16" @default.
- W2029752457 modified "2023-09-23" @default.
- W2029752457 title "Quantitative description of the tilt of distorted octahedra in <i>ABX</i> <sub>3</sub> structures" @default.
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- W2029752457 doi "https://doi.org/10.1107/s010876810605244x" @default.
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