Materials Data on ErLuO3 by Materials Project

Abstract

LuErO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Lu–O bond distances ranging from 2.18–2.25 Å. Er3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.20 Å) and one longer (2.35 Å) Er–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Er3+ atoms to form distorted corner-sharing OEr2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Er3+ atom.