Materials Data on MgMnO2 by Materials Project

Abstract

MgMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with eight equivalent MgO6 octahedra, edges with two equivalent MgO6 octahedra, edges with four equivalent MnO6 octahedra, and faces with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.16 Å) and two longer (2.28 Å) Mg–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with eight equivalent MnO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent MgO6 octahedra, and faces with two equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.19 Å) and four longer (2.25 Å) Mn–O bond lengths. O2- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three equivalent Mn2+ atoms.