Materials Data on Li2MnO2 by Materials Project

Abstract

Li2MnO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with six equivalent MnO6 octahedra, corners with six equivalent LiO4 tetrahedra, edges with three equivalent MnO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–55°. There are three shorter (1.97 Å) and one longer (2.06 Å) Li–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with twelve equivalent LiO4 tetrahedra, edges with six equivalent MnO6 octahedra, and edges with six equivalent LiO4 tetrahedra. All Mn–O bond lengths are 2.28 Å. O2- is bonded in a 7-coordinate geometry to four equivalent Li1+ and three equivalent Mn2+ atoms.