Structure determination of A₂M³⁺TaO₆ and A₂M³⁺NbO₆ ordered perovskites: octahedral tilting and pseudosymmetry; Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS

Acta Cryst. (2006). B62, 384–396 [doi.org/10.1107/S0108768106002448];

Acta Cryst. (2006). B62, 397–410 [doi.org/10.1107/S010876810600262X]

Although simple, the perovskite structure is also very flexible. The distortions that result from this flexibility are responsible for changes in physical properties that are of wide ranging importance. These two articles explore octahedral tilting distortions in perovskites from two perspectives. The first paper examines the challenges associated with accurate structure determination when the unit-cell dimensions remain highly pseudosymmetric. The second paper examines octahedral tilting in A₂MM′O₆ ordered perovskites and discusses the accuracy of the program SPuDS in predicting structures of ordered perovskites.