Materials Data on HoVO3 by Materials Project

Abstract

HoVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.71 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of V–O bond distances ranging from 2.01–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent V3+ atoms to form distorted corner-sharing OHo2V2 trigonal pyramids.