Materials Data on LaMnO3 by Materials Project

Abstract

LaMnO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded to five O2- atoms to form distorted corner-sharing LaO5 trigonal bipyramids. There are a spread of La–O bond distances ranging from 2.15–2.48 Å. Mn3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.02 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.