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

Authors
Jones, GO Thomas, PA
Citation
Go. Jones et Pa. Thomas, The tetragonal phase of Na0.5Bi0.5TiO3 - a new variant of the perovskite structure, ACT CRYST B, 56, 2000, pp. 426-430
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
ISSN journal
01087681 → ACNP
Volume
56
Year of publication
2000
Part
3
Pages
426 - 430
Database
ISI
SICI code
0108-7681(200006)56:<426:TTPON->2.0.ZU;2-W
Abstract
The structure of the tetragonal phase of the A-site-substituted perovskite sodium bismuth titanate, Na0.5Bi0.5TiO3, has been determined by neutron pow der diffraction at 698 K. The structure was refined in space group P4bm wit h a (= b) = 5.5191 (1), c = 3.9085 (1) Angstrom, V = 119.055 (5) Angstrom(3 ), Z = 2 and D-x = 5.91 Mg m(-3). The structure exhibits an unusual combina tion of in-phase (a(0)a(0)c(+)) tilts and antiparallel cation displacements along the polar c axis, which results in a new variant of the perovskite s tructure.