Octahedral tilting in cation-ordered perovskites - a group-theoretical approach

Acta Cryst. (2004). B60, 674–684 [doi:10.1107/S0108768104019901]

The perovskite (ABX₃) structure can be visualised as a three-dimensional network of regular corner-linked BX₆ octahedra, the A cations being located in the cavities between them. Much of the structural variability arises from different patterns of BX₆ octahedral tilting. This paper deals with perovskites in which the octahedra contain two types of cation, in ordered arrangements, at stoichiometries A₃BBʹ₂X₉ and A₄BBʹ₃X₁₂. Group-theoretical methods are used to derive details of the structures obtained when this cation ordering occurs in combination with octahedral tilting.

C.J. Howard and H.T. Stokes