Talanov V M, Shirokov V B
South Russia State Technical University (Novocherkassk Polytechnic Institute), 346400, Novocherkassk, Russian Federation.
Acta Crystallogr A. 2012 Sep;68(Pt 5):595-606. doi: 10.1107/S0108767312028991. Epub 2012 Aug 15.
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.
通过群论方法研究了四面体和八面体旋转导致的尖晶石结构中可能的畸变。结果表明存在28种四面体旋转相和5种八面体旋转相。在所有这些相中，多面体是等效的，但它们的取向可能不同。在四面体旋转相中，有一个纯旋转相，即不伴随结构的额外（非旋转）畸变。在八面体的5种旋转相中，有3种相只能通过八面体的纯旋转得到。
