Eur. Phys. J. AP
Volume 9, Number 1, January 2000
|Page(s)||1 - 9|
|Published online||15 January 2000|
A neutron diffraction study of BaCexZr1−xO3
Laboratoire d'Electrochimie et de Physicochimie des Matériaux et Interfaces (UMR INPG-CNRS),
ENSEEG B.P. 75,
38402 Saint Martin d'Hères, France
2 Institut Laue Langevin, Chemin des Martyrs, 38000 Grenoble, France
Corresponding author: Thierry.Pagnier@lepmi.inpg.fr
Revised: 17 September 1999
Accepted: 20 October 1999
Published online: 15 January 2000
High resolution neutron diffraction patterns of BaCexZr1−xO3 (x = 0, 0.1, 0.4, 0.8) were obtained at various temperatures. The phase diagram that was deduced from Raman measurements has been confirmed. Structural transitions occur in a fixed order Pnma-Imma- Rc-Pm3m as a function of temperature or composition. For BaCeO3, the large volume change that has been previously claimed at the Imma-Rc transition has been revisited and found inconsistent. For a given composition, the cell volume increases when temperature increases, but the MO6 (M=Ce-Zr) octahedron volume decreases. It is shown that the ratio of the cell volume to the octahedron volume is a good indicator of the phase transitions. Transitions occur at fixed values (5.77, 5.80 and 6 for the Pnma-Imma, Imma-Rc and Rc-Pm3m transitions respectively) independently of composition.
PACS: 61.12.Ld – Single-crystal and powder diffraction / 64.70.Kb – Solid-solid transitions
© EDP Sciences, 2000
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