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Title: New insight into the symmetry and the structure of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=lanthanides and Y)

Abstract

Structures of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=La, Pr, Nd, Sm, Eu, Tb, Dy, Ho, and Y) at room temperature have been re-examined by Rietveld profile analysis of X-ray diffraction data. It was shown that the correct phase sequence across the lanthanides is I2/m (Ln=La, Pr, Nd, and Sm), I4/m (Ln=Eu, Gd, Tb, and Dy), and Fm3-bar m (Ln=Ho and Y), respectively. All phases can be derived from the ideal cubic perovskite by ordering the Ln(III) and Nb(V) ions and by out-of-phase tilting the LnO{sub 6}/NbO{sub 6} octahedra around either the primitive two-fold [110]{sub p}-axis (I2/m) or the four-fold [001]{sub p}-axis (I4/m). The monoclinic P2{sub 1}/n structure that contains both out-of-phase and in-phase tilt around the primitive [110]{sub p}- and [001]{sub p}-axis, respectively, has not been observed for this series of compounds.

Authors:
 [1];  [2]
  1. Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands). E-mail: w.fu@chem.leidenuniv.nl
  2. Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)
Publication Date:
OSTI Identifier:
20784952
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 179; Journal Issue: 4; Other Information: DOI: 10.1016/j.jssc.2005.12.031; PII: S0022-4596(05)00627-4; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BARIUM COMPOUNDS; CUBIC LATTICES; MONOCLINIC LATTICES; NIOBIUM COMPOUNDS; PEROVSKITE; RARE EARTH COMPOUNDS; TEMPERATURE RANGE 0273-0400 K; TETRAGONAL LATTICES; X-RAY DIFFRACTION

Citation Formats

Fu, W.T., and IJdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=lanthanides and Y). United States: N. p., 2006. Web. doi:10.1016/j.jssc.2005.12.031.
Fu, W.T., & IJdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=lanthanides and Y). United States. doi:10.1016/j.jssc.2005.12.031.
Fu, W.T., and IJdo, D.J.W. Sat . "New insight into the symmetry and the structure of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=lanthanides and Y)". United States. doi:10.1016/j.jssc.2005.12.031.
@article{osti_20784952,
title = {New insight into the symmetry and the structure of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=lanthanides and Y)},
author = {Fu, W.T. and IJdo, D.J.W.},
abstractNote = {Structures of the double perovskites Ba{sub 2}LnNbO{sub 6} (Ln=La, Pr, Nd, Sm, Eu, Tb, Dy, Ho, and Y) at room temperature have been re-examined by Rietveld profile analysis of X-ray diffraction data. It was shown that the correct phase sequence across the lanthanides is I2/m (Ln=La, Pr, Nd, and Sm), I4/m (Ln=Eu, Gd, Tb, and Dy), and Fm3-bar m (Ln=Ho and Y), respectively. All phases can be derived from the ideal cubic perovskite by ordering the Ln(III) and Nb(V) ions and by out-of-phase tilting the LnO{sub 6}/NbO{sub 6} octahedra around either the primitive two-fold [110]{sub p}-axis (I2/m) or the four-fold [001]{sub p}-axis (I4/m). The monoclinic P2{sub 1}/n structure that contains both out-of-phase and in-phase tilt around the primitive [110]{sub p}- and [001]{sub p}-axis, respectively, has not been observed for this series of compounds.},
doi = {10.1016/j.jssc.2005.12.031},
journal = {Journal of Solid State Chemistry},
number = 4,
volume = 179,
place = {United States},
year = {Sat Apr 15 00:00:00 EDT 2006},
month = {Sat Apr 15 00:00:00 EDT 2006}
}