Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites

A2CuWO6 (A=Sr, Ba), Sr2CoMoO6, and La2LiRuO6

Michael W. Lufaso, William R. Gemmill, Samuel J. Mugavero, Yongjae Lee, Thomas Vogt, Hans Conrad zur Loye

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Synchrotron X-ray powder diffraction was used to study the high pressure dependence of the lattice parameter and structural evolution of the monoclinic La2LiRuO6 and tetragonal Sr2CoMoO6, Sr2CuWO6, and Ba2CuWO6 double perovskite phases. The c lattice parameters of Sr2CuWO6 and Ba2CuWO6 decreased more rapidly than the a lattice parameters and Ba2CuWO6 exhibited a more anisotropic compression compared to Sr2CuWO6. Based on lower pressure refinements of Ba2CuWO6, 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.

Original languageEnglish
Pages (from-to)3556-3561
Number of pages6
JournalJournal of Solid State Chemistry
Volume179
Issue number11
DOIs
Publication statusPublished - 2006 Nov 1

Fingerprint

perovskites
Lattice constants
lattice parameters
Jahn-Teller effect
Synchrotrons
bulk modulus
Equations of state
Perovskite
X ray powder diffraction
pressure dependence
synchrotrons
equations of state
low pressure
Elastic moduli
diffraction
x rays

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Lufaso, Michael W. ; Gemmill, William R. ; Mugavero, Samuel J. ; Lee, Yongjae ; Vogt, Thomas ; Loye, Hans Conrad zur. / Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites : A2CuWO6 (A=Sr, Ba), Sr2CoMoO6, and La2LiRuO6. In: Journal of Solid State Chemistry. 2006 ; Vol. 179, No. 11. pp. 3556-3561.
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abstract = "Synchrotron X-ray powder diffraction was used to study the high pressure dependence of the lattice parameter and structural evolution of the monoclinic La2LiRuO6 and tetragonal Sr2CoMoO6, Sr2CuWO6, and Ba2CuWO6 double perovskite phases. The c lattice parameters of Sr2CuWO6 and Ba2CuWO6 decreased more rapidly than the a lattice parameters and Ba2CuWO6 exhibited a more anisotropic compression compared to Sr2CuWO6. Based on lower pressure refinements of Ba2CuWO6, 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.",
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Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites : A2CuWO6 (A=Sr, Ba), Sr2CoMoO6, and La2LiRuO6. / Lufaso, Michael W.; Gemmill, William R.; Mugavero, Samuel J.; Lee, Yongjae; Vogt, Thomas; Loye, Hans Conrad zur.

In: Journal of Solid State Chemistry, Vol. 179, No. 11, 01.11.2006, p. 3556-3561.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites

T2 - A2CuWO6 (A=Sr, Ba), Sr2CoMoO6, and La2LiRuO6

AU - Lufaso, Michael W.

AU - Gemmill, William R.

AU - Mugavero, Samuel J.

AU - Lee, Yongjae

AU - Vogt, Thomas

AU - Loye, Hans Conrad zur

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N2 - Synchrotron X-ray powder diffraction was used to study the high pressure dependence of the lattice parameter and structural evolution of the monoclinic La2LiRuO6 and tetragonal Sr2CoMoO6, Sr2CuWO6, and Ba2CuWO6 double perovskite phases. The c lattice parameters of Sr2CuWO6 and Ba2CuWO6 decreased more rapidly than the a lattice parameters and Ba2CuWO6 exhibited a more anisotropic compression compared to Sr2CuWO6. Based on lower pressure refinements of Ba2CuWO6, 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.

AB - Synchrotron X-ray powder diffraction was used to study the high pressure dependence of the lattice parameter and structural evolution of the monoclinic La2LiRuO6 and tetragonal Sr2CoMoO6, Sr2CuWO6, and Ba2CuWO6 double perovskite phases. The c lattice parameters of Sr2CuWO6 and Ba2CuWO6 decreased more rapidly than the a lattice parameters and Ba2CuWO6 exhibited a more anisotropic compression compared to Sr2CuWO6. Based on lower pressure refinements of Ba2CuWO6, 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.

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