IUCr journals

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]

[Perovskite structure]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.

P.W. Barnes, M.W. Lufaso and P.M. Woodward; M.W. Lufaso, P.W. Barnes and P.M. Woodward