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Title: Crystal structures and phase transitions of Sr{sub 2}CrSbO{sub 6}

Abstract

Sr{sub 2}CrSbO{sub 6} was synthesized by the conventional solid-state reaction process. X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD) has been used to reinvestigate the structure at room temperature and to study the phase transitions at high- and low-temperature. Rietveld analysis revealed that Sr{sub 2}CrSbO{sub 6} crystallizes at room temperature in a monoclinic system having a space group I2/m, with a=5.5574(1) A; b=5.5782(1) A; c=7.8506(2) A and beta=90.06(2), no P2{sub 1}/n space group as was previously reported. The high-temperature study (300-870 K) has shown that the compound presents the following temperature induced phase-transition sequence: I2/m-I4/m-Fm-3m. The low-temperature study (100-300 K) demonstrated that the room-temperature I2/m monoclinic symmetry seems to be stable down to 100 K. - Graphical abstract: The components of the GM{sup 3+} mode, responsible for the breaking of the symmetry to the I4/mmm tetragonal space group from the Fm-3m, observed experimentally at high. This mode involves the movements of all the oxygen atoms in the octahedra: those located in the (00z) positions move to the center (or out of) of the octahedra, as shown in (a); and the oxygen atoms located in the xy plane move outwards (inwards) along the diagonals of the basal plane of themore » octahedra (b). As the octahedra are corner sharing if one octahedra stretches the other one expands. (c) On the other hand, the mode GM{sup 4+} is responsible for the breaking of the symmetry down to the I4/m space group, and involves movements only of the oxygen atoms located in the xy plane (c): those displacements can be viewed as rotations (tilts) of the octahedra around the tetragonal axis.« less

Authors:
 [1];  [2];  [1]
  1. Fisika Aplikatua II Saila, Zientzia Fakultatea, Euskal Herriko Unibertsitatea, P.O. Box 644, Bilbao 48080 (Spain)
  2. PANalytical, Lelyweg, Almelo 7600AA (Netherlands)
Publication Date:
OSTI Identifier:
21370474
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 182; Journal Issue: 7; Other Information: DOI: 10.1016/j.jssc.2009.04.014; PII: S0022-4596(09)00170-4; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANTIMONY COMPOUNDS; CHROMIUM COMPOUNDS; MONOCLINIC LATTICES; NEUTRON DIFFRACTION; OXYGEN COMPOUNDS; PEROVSKITE; PHASE TRANSFORMATIONS; ROTATION; SOLIDS; SPACE GROUPS; STRONTIUM COMPOUNDS; TEMPERATURE RANGE 0273-0400 K; TEMPERATURE RANGE 0400-1000 K; TETRAGONAL LATTICES; X-RAY DIFFRACTION; ALKALINE EARTH METAL COMPOUNDS; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DIFFRACTION; MINERALS; MOTION; OXIDE MINERALS; PEROVSKITES; SCATTERING; SYMMETRY GROUPS; TEMPERATURE RANGE; TRANSITION ELEMENT COMPOUNDS

Citation Formats

Faik, A, Igartua, J.M., E-mail: josu.igartua@ehu.e, Gateshki, M, Cuello, G J, and Ikerbasque and Institut Laue Langevin, BP 156, F-38042 Grenoble. Crystal structures and phase transitions of Sr{sub 2}CrSbO{sub 6}. United States: N. p., 2009. Web. doi:10.1016/j.jssc.2009.04.014.
Faik, A, Igartua, J.M., E-mail: josu.igartua@ehu.e, Gateshki, M, Cuello, G J, & Ikerbasque and Institut Laue Langevin, BP 156, F-38042 Grenoble. Crystal structures and phase transitions of Sr{sub 2}CrSbO{sub 6}. United States. https://doi.org/10.1016/j.jssc.2009.04.014
Faik, A, Igartua, J.M., E-mail: josu.igartua@ehu.e, Gateshki, M, Cuello, G J, and Ikerbasque and Institut Laue Langevin, BP 156, F-38042 Grenoble. 2009. "Crystal structures and phase transitions of Sr{sub 2}CrSbO{sub 6}". United States. https://doi.org/10.1016/j.jssc.2009.04.014.
@article{osti_21370474,
title = {Crystal structures and phase transitions of Sr{sub 2}CrSbO{sub 6}},
author = {Faik, A and Igartua, J.M., E-mail: josu.igartua@ehu.e and Gateshki, M and Cuello, G J and Ikerbasque and Institut Laue Langevin, BP 156, F-38042 Grenoble},
abstractNote = {Sr{sub 2}CrSbO{sub 6} was synthesized by the conventional solid-state reaction process. X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD) has been used to reinvestigate the structure at room temperature and to study the phase transitions at high- and low-temperature. Rietveld analysis revealed that Sr{sub 2}CrSbO{sub 6} crystallizes at room temperature in a monoclinic system having a space group I2/m, with a=5.5574(1) A; b=5.5782(1) A; c=7.8506(2) A and beta=90.06(2), no P2{sub 1}/n space group as was previously reported. The high-temperature study (300-870 K) has shown that the compound presents the following temperature induced phase-transition sequence: I2/m-I4/m-Fm-3m. The low-temperature study (100-300 K) demonstrated that the room-temperature I2/m monoclinic symmetry seems to be stable down to 100 K. - Graphical abstract: The components of the GM{sup 3+} mode, responsible for the breaking of the symmetry to the I4/mmm tetragonal space group from the Fm-3m, observed experimentally at high. This mode involves the movements of all the oxygen atoms in the octahedra: those located in the (00z) positions move to the center (or out of) of the octahedra, as shown in (a); and the oxygen atoms located in the xy plane move outwards (inwards) along the diagonals of the basal plane of the octahedra (b). As the octahedra are corner sharing if one octahedra stretches the other one expands. (c) On the other hand, the mode GM{sup 4+} is responsible for the breaking of the symmetry down to the I4/m space group, and involves movements only of the oxygen atoms located in the xy plane (c): those displacements can be viewed as rotations (tilts) of the octahedra around the tetragonal axis.},
doi = {10.1016/j.jssc.2009.04.014},
url = {https://www.osti.gov/biblio/21370474}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 7,
volume = 182,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2009},
month = {Wed Jul 15 00:00:00 EDT 2009}
}