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Negative Thermal Expansion in Orthorhombic NbOPO4

✍ Scribed by T.G. Amos; A.W. Sleight

Publisher: Elsevier Science
Year: 2001
Tongue: English
Weight: 499 KB
Volume: 160
Category: Article
ISSN: 0022-4596
DOI: 10.1006/jssc.2001.9227

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✦ Synopsis

Monoclinic NbOPO 4 was found to undergo a readily reversible 5rst-order phase transition at 2923C. The connectivity of the NbO 6 octahedra and PO 4 tetrahedra remains the same throughout the transition, but above the transition the symmetry has increased to orthorhombic and Z has decreased by a factor of 2. Rietveld structure re5nements utilized neutron di4raction data from room temperature to 4003C and X-ray di4raction data up to 7003C. One cell edge shows negative thermal expansion over the entire temperature range. The other two cell edges show negative thermal expansion only above the phase transition. The negative thermal expansion behavior is related to transverse thermal motion of oxygen.

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