Wang Di, Angel Ross J
Virginia Tech Crystallography Laboratory, Department of Geosciences, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061, USA.
Acta Crystallogr B. 2011 Aug;67(Pt 4):302-14. doi: 10.1107/S0108768111018313. Epub 2011 Jul 18.
The structures of tilted perovskites in each of the 15 tilt systems have been decomposed into the amplitudes of symmetry-adapted modes in order to provide a clear and unambiguous definition of the tilt angles. A full expression in terms of the mode amplitudes for the ratio of the volumes of the two polyhedra within the perovskite structure for each of the 15 tilt systems is derived, along with more general expressions in terms of either mode amplitudes or tilt angles that can be used to estimate this ratio when the distortions of the octahedra are small.
为了清晰明确地定义倾斜角，已将15种倾斜系统中每种倾斜钙钛矿的结构分解为对称适应模式的振幅。推导了15种倾斜系统中每种系统的钙钛矿结构内两个多面体体积比的模式振幅完整表达式，以及在八面体畸变较小时可用于估计该体积比的更通用的模式振幅或倾斜角表达式。
