Acta Crystallographica Section B

Structural Science

Volume 60, Part 4 (August 2004)

Acta Cryst. (2004). B60, 375-381    [doi:10.1107/S0108768104012881]

Structure of a high-pressure phase of vanadium pentoxide, -V₂O₅

V. P. Filonenko, M. Sundberg, P.-E. Werner and I. P. Zibrov

Abstract: A high-pressure phase of vanadium pentoxide, denoted -V₂O₅, has been prepared at P = 6.0  GPa and T = 1073  K. The crystal structure of -V₂O₅ has been studied by X-ray and neutron powder diffraction, and high-resolution transmission electron microscopy. The V atoms are six-coordinated within distorted VO₆ octahedra. The structure is built up of quadruple units of edge-sharing VO₆ octahedra linked by sharing edges along [010] and mutually connected by sharing corners along [001]. This arrangement forms layers of V₄O₁₀ composition in planes parallel to (100). The layers are mutually held together by weak forces. -V₂O₅ is metastable and transforms to -V₂O₅ at 643-653  K under ambient pressure. Structural relationships between - and -V₂O₅, and between -V₂O₅ and B-Ta₂O₅-type structures are discussed. The high-pressure -V₂O₅ layer structure can be considered as the parent of a new series of vanadium oxide bronzes with cations intercalated between the layers.

Online 19 July 2004

	Structure factor file (CIF format) (22.2 kbytes) Contains datablock I
	Structure factor file (CIF format) (10.1 kbytes) Contains datablock II

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