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

doi:10.1016/j.jssc.2006.07.016

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 journal › Article › peer-review

19 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 language	English
Pages (from-to)	3556-3561
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	179
Issue number	11
DOIs	https://doi.org/10.1016/j.jssc.2006.07.016
Publication status	Published - 2006 Nov

Bibliographical note

Funding Information:
Financial support from the Department of Energy through Grant DE-FG02-04ER46122 and the National Science Foundation through Grant no. DMR:0450103 is gratefully acknowledged. Work at Brookhaven is supported by the US Department of Energy, Division of Materials Sciences, under contract no. DE-AC02-98CH10886.

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

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10.1016/j.jssc.2006.07.016

Cite this

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title = "Compression mechanisms of symmetric and Jahn-Teller distorted octahedra in double perovskites: A2CuWO6 (A=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 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.",

author = "Lufaso, {Michael W.} and Gemmill, {William R.} and Mugavero, {Samuel J.} and Yongjae Lee and Thomas Vogt and Loye, {Hans Conrad zur}",

note = "Funding Information: Financial support from the Department of Energy through Grant DE-FG02-04ER46122 and the National Science Foundation through Grant no. DMR:0450103 is gratefully acknowledged. Work at Brookhaven is supported by the US Department of Energy, Division of Materials Sciences, under contract no. DE-AC02-98CH10886.",

year = "2006",

month = nov,

doi = "10.1016/j.jssc.2006.07.016",

language = "English",

volume = "179",

pages = "3556--3561",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

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AU - Lufaso, Michael W.

AU - Gemmill, William R.

AU - Mugavero, Samuel J.

AU - Lee, Yongjae

AU - Vogt, Thomas

AU - Loye, Hans Conrad zur

N1 - Funding Information: Financial support from the Department of Energy through Grant DE-FG02-04ER46122 and the National Science Foundation through Grant no. DMR:0450103 is gratefully acknowledged. Work at Brookhaven is supported by the US Department of Energy, Division of Materials Sciences, under contract no. DE-AC02-98CH10886.

PY - 2006/11

Y1 - 2006/11

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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