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Inorg Chem. 2011 Jul 18;50(14):6762-6. doi: 10.1021/ic200799n. Epub 2011 Jun 13.

Bixbyite-type V2O3--a metastable polymorph of vanadium sesquioxide.

Inorganic chemistry

D Weber, A Stork, S Nakhal, C Wessel, C Reimann, W Hermes, A Müller, T Ressler, R Pöttgen, T Bredow, R Dronskowski, M Lerch

Affiliations

  1. Institut für Chemie, TU Berlin, Strasse des 17. Juni 135, D-10623 Berlin, Germany.

PMID: 21667936 DOI: 10.1021/ic200799n

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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