Materials Data on YRhO3 by Materials Project

Abstract

YRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.72 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are two shorter (2.07 Å) and four longer (2.09 Å) Rh–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 Y3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OY2Rh2 trigonal pyramids.