Materials Data on ErMnO3 by Materials Project

Abstract

ErMnO3 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 2.23–2.62 Å. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 38–42°. There are a spread of Mn–O bond distances ranging from 1.94–2.22 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 Mn3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Mn3+ atoms to form distorted corner-sharing OEr2Mn2 trigonal pyramids.