Materials Data on ErGaO3 by Materials Project

Abstract

ErGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.69 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Ga–O bond distances ranging from 2.00–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OEr2Ga2 trigonal pyramids.