Tilting structures in spinels.

IF 1.8 4区材料科学

Acta Crystallographica Section A Pub Date : 2012-09-01 Epub Date: 2012-08-15 DOI:10.1107/S0108767312028991

V M Talanov, V B Shirokov

引用次数: 20

Abstract

The possible distortions in the spinel structure resulting from rotation of the tetrahedra and octahedra have been investigated by a group-theoretical method. The possibility of the existence of 28 phases of rotation of the tetrahedra and five phases of rotation of the octahedra has been shown. In all these phases the polyhedra are equivalent, but their orientation can be different. Among the phases of the tetrahedra rotation there is one phase of pure rotation, i.e. not accompanied by additional (not rotation) distortions of the structure. Of the five phases of the rotation of the octahedra three phases can be obtained only by pure rotation of the octahedra.

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尖晶石中的倾斜结构。

用群论方法研究了四面体和八面体旋转对尖晶石结构可能造成的畸变。证明了四面体存在28个旋转相和八面体存在5个旋转相的可能性。在所有这些相中，多面体是等效的，但它们的取向可以不同。在四面体旋转的相中有一个纯旋转相，即不伴随着结构的额外(非旋转)畸变。在八面体旋转的五个相位中，只有通过八面体的纯旋转才能得到三个相位。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section A 化学-晶体学

自引率

11.10%

发文量

审稿时长

3 months

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.