Materials Data on La2MgO4 by Materials Project

Abstract

La2O3MgO is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are four shorter (2.00 Å) and two longer (2.26 Å) Mg–O bond lengths. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent La3+ atoms.