Materials Data on LaCeMn2O6 by Materials Project

Abstract

CeLaMn2O6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ce3+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.24 Å) and six longer (2.83 Å) Ce–O bond lengths. La3+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.36 Å) and six longer (2.85 Å) La–O bond lengths. Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are three shorter (2.04 Å) and three longer (2.08 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ce3+, one La3+, and two equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent La3+, and two equivalent Mn3+ atoms.