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Ordered orthorhombic phases of titanium monoxide

Aleksandr I. Gusev (Russian Academy of Sciences, Institute of Solid State Chemistry)

Journal of Experimental and Theoretical Physics Letters
DOI: 10.1134/1.1405892 (Materials Science)
License: not stated (all rights reserved)

Abstract: Symmetry analysis is carried out for the ordered phases of cubic monoxide TiO y with relative oxygen contents y <1 and y >1. It is established that a partially ordered orthorhombic phase (space group Immm )—a derivative of the orthorhombic M 3 X 2 □ superstructure (at y <1.0) or the inverse superstructure M 2 ■X 3 (at y >1)—may arise in TiO y . The distribution of Ti and O atoms, oxygen vacancies □, and titanium vacancies ■ in unit cells of the orthorhombic ordered phases is determined. The phases are formed through the order-disorder transition channel along two rays of a non-Lifshitz star { k 4 }, and the ordering proceeds as a first-order phase transition. The distribution functions of Ti atoms over the sites of metallic and O atoms over the sites of nonmetallic sublattices are calculated for the orthorhombic superstructures of cubic titanium monoxide TiO y .

Published on 01 Jul. 2001