Use of X-ray Anomalous Dispersion: The Superstructure of PbZrO3

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

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Abstract

Intensity measurements of several superlattice reflections of lead zirconate, PbZrO3, have been made on single-crystal specimens as a function of incident X-ray energy around the Pb LIII and Zr K absorption edges. Anomalies in the squared structure factor |F(hkl)|2 of superlattice reflections with l odd, and of those with l even, are observed at both the absorption edges. This indicates that both Pb and Zr atoms show an out-of-phase type of displacement, not only on the xy plane but also along the z axis in the orthorhombic cell. The results of the Zr displacement are in contradiction with the models in the literature. It is shown that the use of X-ray anomalous dispersion is effective to obtain information on the atomic displacement and to investigate the superstructure.

Original languageEnglish
Pages (from-to)415-419
Number of pages5
JournalActa Crystallographica Section B: Structural Science
Volume53
Issue number3
DOIs
Publication statusPublished - Jun 1 1997

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All Science Journal Classification (ASJC) codes

  • Biochemistry, Genetics and Molecular Biology(all)

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