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Title: Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites: A2CuWO6 (A 1/4 Sr, Ba), Sr2CoMoO6, and La2LiRuO6

Abstract

Synchrotron X-ray powder diffraction was used to study the high pressure dependence of the lattice parameter and structural evolution of the monoclinic La{sub 2}LiRuO{sub 6} and tetragonal Sr{sub 2}CoMoO{sub 6}, Sr{sub 2}CuWO{sub 6}, and Ba{sub 2}CuWO{sub 6} double perovskite phases. The c lattice parameters of Sr{sub 2}CuWO{sub 6} and Ba{sub 2}CuWO{sub 6} decreased more rapidly than the a lattice parameters and Ba{sub 2}CuWO{sub 6} exhibited a more anisotropic compression compared to Sr{sub 2}CuWO{sub 6}. Based on lower pressure refinements of Ba{sub 2}CuWO{sub 6}, the anisotropic compression is proposed to be due to the preferential compression of the Cu-O bonds containing cooperative Jahn-Teller distortions aligned parallel to the c-axis, which is in contrast to Sr2CoMoO6, where the change in the octahedral tilting and symmetric bond compression is the prevailing compression mechanism. The bulk moduli were obtained from a fit of the volume-pressure data using the second-order Murnaghan equation of state.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
914044
Report Number(s):
BNL-78612-2007-JA
Journal ID: ISSN 0022-4596; JSSCBI; TRN: US0801498
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Journal Name:
J. Solid State Chem.
Additional Journal Information:
Journal Volume: 179; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
43 PARTICLE ACCELERATORS; COMPRESSION; DIFFRACTION; LATTICE PARAMETERS; PEROVSKITE; PEROVSKITES; SYNCHROTRONS; NSLS; national synchrotron light source

Citation Formats

Lufaso, M, Gemmil, W, Mugavero, S, Lee, Y, Vogt, T, and zur Loye, H. Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites: A2CuWO6 (A 1/4 Sr, Ba), Sr2CoMoO6, and La2LiRuO6. United States: N. p., 2006. Web. doi:10.1016/j.jssc.2006.07.016.
Lufaso, M, Gemmil, W, Mugavero, S, Lee, Y, Vogt, T, & zur Loye, H. Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites: A2CuWO6 (A 1/4 Sr, Ba), Sr2CoMoO6, and La2LiRuO6. United States. https://doi.org/10.1016/j.jssc.2006.07.016
Lufaso, M, Gemmil, W, Mugavero, S, Lee, Y, Vogt, T, and zur Loye, H. 2006. "Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites: A2CuWO6 (A 1/4 Sr, Ba), Sr2CoMoO6, and La2LiRuO6". United States. https://doi.org/10.1016/j.jssc.2006.07.016.
@article{osti_914044,
title = {Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites: A2CuWO6 (A 1/4 Sr, Ba), Sr2CoMoO6, and La2LiRuO6},
author = {Lufaso, M and Gemmil, W and Mugavero, S and Lee, Y and Vogt, T and zur Loye, H},
abstractNote = {Synchrotron X-ray powder diffraction was used to study the high pressure dependence of the lattice parameter and structural evolution of the monoclinic La{sub 2}LiRuO{sub 6} and tetragonal Sr{sub 2}CoMoO{sub 6}, Sr{sub 2}CuWO{sub 6}, and Ba{sub 2}CuWO{sub 6} double perovskite phases. The c lattice parameters of Sr{sub 2}CuWO{sub 6} and Ba{sub 2}CuWO{sub 6} decreased more rapidly than the a lattice parameters and Ba{sub 2}CuWO{sub 6} exhibited a more anisotropic compression compared to Sr{sub 2}CuWO{sub 6}. Based on lower pressure refinements of Ba{sub 2}CuWO{sub 6}, the anisotropic compression is proposed to be due to the preferential compression of the Cu-O bonds containing cooperative Jahn-Teller distortions aligned parallel to the c-axis, which is in contrast to Sr2CoMoO6, where the change in the octahedral tilting and symmetric bond compression is the prevailing compression mechanism. The bulk moduli were obtained from a fit of the volume-pressure data using the second-order Murnaghan equation of state.},
doi = {10.1016/j.jssc.2006.07.016},
url = {https://www.osti.gov/biblio/914044}, journal = {J. Solid State Chem.},
issn = {0022-4596},
number = ,
volume = 179,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2006},
month = {Sun Jan 01 00:00:00 EST 2006}
}