Materials Data on LaErO3 by Materials Project

Abstract

LaErO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 39–42°. There are a spread of Er–O bond distances ranging from 2.23–2.28 Å. La3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Er2 trigonal pyramids.