The tetragonal phase of Na0.5Bi0.5TiO3- a new variant of the perovskite structure

The structure of the tetragonal phase of the A‐site‐substituted perovskite sodium bismuth titanate, Na0.5Bi0.5TiO3, has been determined by neutron powder diffraction at 698 K. The structure was refined in space group P4bm with a (= b) = 5.5191 (1), c = 3.9085 (1) Å, V = 119.055 (5) Å3, Z = 2 and Dx...

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Bibliographic Details
Published in:Acta crystallographica. Section B, Structural science Structural science, 2000-06, Vol.56 (3), p.426-430
Main Authors: Jones, G. O., Thomas, P. A.
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Inorganic compounds
Physics
Salts
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary:The structure of the tetragonal phase of the A‐site‐substituted perovskite sodium bismuth titanate, Na0.5Bi0.5TiO3, has been determined by neutron powder diffraction at 698 K. The structure was refined in space group P4bm with a (= b) = 5.5191 (1), c = 3.9085 (1) Å, V = 119.055 (5) Å3, Z = 2 and Dx = 5.91 Mg m−3. The structure exhibits an unusual combination of in‐phase (a0a0c+) tilts and antiparallel cation displacements along the polar c axis, which results in a new variant of the perovskite structure.
ISSN:0108-7681
1600-5740
DOI:10.1107/S0108768100001166