Bixbyite-Type V2O3—A Metastable Polymorph of Vanadium Sesquioxide
Inorganic Chemistry2011Vol. 50(14), pp. 6762–6766
Citations Over TimeTop 10% of 2011 papers
Dominik A. Weber, Alexandra Stork, Suliman Nakhal, C. Wessel, Christoph Reimann, Wilfried Hermes, Alexander Müller, Thorsten Ressler, Rainer Pöttgen, Thomas Bredow, Richard Dronskowski, Martin Lerch
Abstract
A metastable polymorph of vanadium sesquioxide was prepared by the reaction of vanadium trifluoride with a water-saturated gaseous mixture of 10 vol % hydrogen in argon. The new polymorph crystallizes in the bixbyite-type structure. At temperatures around 823 K a transformation to the well-known corundum-type phase is observed. Quantum-chemical calculations show that the bixbyite-type structure is about 9 kJ/mol less stable than the known corundum-based one. This result, in combination with the absence of imaginary modes in the phonon density of states, supports the classification of the bixbyite-type phase as a metastable V(2)O(3) polymorph. At ~50 K a paramagnetic to canted antiferromagnetic transition is detected.
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