Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in ferroelectric PbHf0.4Ti0.6O3

Muller, C.; Baudour, J.-L.; Madigou, V.; Bouree, F.; Kiat, J.-M.; Favotto, C.; Roubin, M.

doi:10.1107/S0108768198005758

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Schematic projections on the (010) plane showing the relative displacement of the Hf, Ti and Pb nuclei in PbHf_0.4Ti_0.6O₃ at (a) 10 and (b) 300 K. A shift of δz_cat = z_Hf − z_Ti = +0.04 was introduced in the refinement. The conventional unit cell and oxygen octahedron are displayed. (c) A schematic view of the 720 K cubic structure: splittings of the Ti⁴⁺ and Pb²⁺ cation sites are drawn.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 55| Part 1| February 1999| Pages 8-16

doi:10.1107/S0108768198005758

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