Superstructure Determination of PbZrO3

K. Yamasaki, Y. Soejima, K. F. Fischer

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22 Citations (Scopus)


By taking into account the effects of domain structures and X-ray absorption, the superstructure of PbZrO3. lead zirconate, has been determined at room temperature. The space group is Pbam with a unit cell of a = 5.8884 (19), b = 11.771 (4) and c = 8.226 (3) A, with Z = 8. The intensity data were collected using short-wavelength synchrotron X-rays of 0.350 Å; this reduces the linear absorption coefficient to 11.93 mm-1. The structure refinement was performed using only the data of superlattice reflections which are free from ambiguity and resulting from the domain structure; the final R value is 0.047 for 335 unique superlattice reflections. Zr atoms show the antiphase-type displacement along the z axis; oxygen octahedra show tilt of the type a-a-c0 using Glazer's [Acta Cryst. (1972), B28, 3384-3392; Acta Cryst. (1975), A31, 756-762] notation.

Original languageEnglish
Pages (from-to)524-530
Number of pages7
JournalActa Crystallographica Section B: Structural Science
Issue number5
Publication statusPublished - Oct 1 1998

All Science Journal Classification (ASJC) codes

  • Biochemistry, Genetics and Molecular Biology(all)


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