Abstract

The full three-dimensional single-crystal crystal structure of the perovskite material PbZrO 3 (M r =346.42) has been refined. It is found that the structure is disordered with two substructure components related by a shear of c/2. Each individual substructure corresponds closely to the tilt system a - a - c 0 of Glazer [Acta Cryst. (1972), B28, 33843392; Acta Cryst. (1975), A31, 756-762]. The space group was determined to be Pbam (D o 2h ) with a=5.889 3), b=11.784 (4) and c=8.226 (2) A, V=570.8 (4) A 3 , Z=8, D x =8.06 Mg m -3 , Mo Kα, λ=0.71069 A, μ=612.68 cm -1 , T=297 K

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