4.7 Article

V2O5 phase diagram revisited at high pressures and high temperatures

Journal

JOURNAL OF ALLOYS AND COMPOUNDS
Volume 429, Issue 1-2, Pages 87-98

Publisher

ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2006.04.042

Keywords

V2O5; phase diagrams; high pressure; crystal structure; computer simulations

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New experiments on V2O5 have been performed using large volume high pressure and high temperature devices, to pressures up to 29 GPa and temperatures up to 1500 degrees C. Post-temperature and pressure quench, samples have been structurally analysed using X-ray diffraction and Raman spectroscopy. Data obtained confirms earlier experimental results at elevated pressures and temperatures, and reveals the stability range of the high-pressure phases far beyond the previously known region. Rietveld refinement of the delta-phase Of V2O5 shows that the phase crystallizes in space group C12/c1 (no. 15) with a = 11.9719(2) angstrom, b = 4.7017(1) angstrom, c = 5.3253(1) angstrom, beta = 104.41(0)degrees, V= 290.32(7) angstrom(3) and Z = 4. The tentative mapping of phase boundaries is also in agreement with our theoretical predictions for pressure-induced transitions at absolute zero temperature. (c) 2006 Elsevier B.V. All rights reserved.

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