Strong Negative Thermal Expansion along the O−Cu−O Linkage in CuScO2

J. Li, A. Yokochi, T. G. Amos, and A. W. Sleight*
Department of Chemistry, Oregon State University, Corvallis, Oregon 97331-4003, and NIST Center for Neutron Research, National Institute of Standards and Technology, 100 Bureau Drive, Stop 8562, Gaithersburg, Maryland 20899-8562
Chem. Mater., 2002, 14 (6), pp 2602–2606
DOI: 10.1021/cm011633v
Publication Date (Web): April 19, 2002
Copyright © 2002 American Chemical Society

Abstract

The structure of 2H CuScO2 has been refined from single-crystal X-ray diffraction data obtained at room temperature and from neutron powder diffraction data obtained from 11 to 1206 K. Strong negative thermal expansion (−4.0 × 10-6/K) has been found for the apparent Cu−O bond length below 300 K. This is the first example of strong negative thermal expansion in a metal oxide based on an O−M−O linkage instead of a M−O−M linkage. It is now the transverse thermal motion of Cu, instead of the transverse thermal motion of oxygen, that causes the negative thermal expansion. As expected for this mechanism for negative thermal expansion, the thermal displacement parameter for Cu is very pronounced perpendicular to the linear O−Cu−O linkage.

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History

  • Published In Issue June 17, 2002
  • Received December 7, 2001
    Revised Manuscript Received March 13, 2002

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