Materials Data on CeVO3 by Materials Project

Abstract

CeVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.28–2.78 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–39°. There are four shorter (2.08 Å) and two longer (2.11 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ce3+ and two equivalent V3+ atoms to form distorted corner-sharing OCe2V2 trigonal pyramids.