Materials Data on YWO3 by Materials Project

Abstract

YWO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.86 Å. W3+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of W–O bond distances ranging from 2.16–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent W3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent W3+ atoms to form distorted corner-sharing OY2W2 trigonal pyramids.