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The High-Temperature Phases of WO3

High-temperature, high-resolution neutron powder diffraction experiments were performed to investigate the phases of WO3between room temperature and 850°C. Two phases were found and characterized by Rietveld refinements: orthorhombicβ-WO3(Pbcn,a=7.3331(2),b=7.5733(2),c=7.7401(3) Å at 350°C, tilt sys...

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Bibliographic Details
Published in:Journal of solid state chemistry 1999-04, Vol.144 (1), p.209-215
Main Authors: Vogt, Tom, Woodward, Patrick M, Hunter, Brett A
Format: Article
Language:English
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Summary:High-temperature, high-resolution neutron powder diffraction experiments were performed to investigate the phases of WO3between room temperature and 850°C. Two phases were found and characterized by Rietveld refinements: orthorhombicβ-WO3(Pbcn,a=7.3331(2),b=7.5733(2),c=7.7401(3) Å at 350°C, tilt systema0b+c−) and tetragonalα-WO3(P4/ncc,a= 5.2759(1),b=5.2759(1),c=7.8462(3) Å at 800°C, tilt systema0a0c−). The sequence of temperature-induced phase transitions in WO3can be rationalized in terms of changes in the octahedral tilt systems and/or displacements of the tungsten out of the center of the WO6octahedron. Above room temperature the two phase transitions are driven by sucessive softening of phonon modes,M3at theα- toβ-transition andR25at theβ- toγ-transition.
ISSN:0022-4596
1095-726X
DOI:10.1006/jssc.1999.8173