The tetragonal phase of Na0.5Bi0.5TiO3– a new variant of the perovskite structure
Acta Crystallographica Section B
Volume 56, Issue 3, pages 426–430, June 2000
How to Cite
Jones, G. O. and Thomas, P. A. (2000), The tetragonal phase of Na0.5Bi0.5TiO3– a new variant of the perovskite structure. Acta Crystallographica Section B, 56: 426–430. doi: 10.1107/S0108768100001166
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.