Materials Data on Mn3O4 by Materials Project

Abstract

Mn3O4 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of four MnO ribbons oriented in the (1, 0, 0) direction and two Mn2O3 sheets oriented in the (0, 0, 1) direction. In each MnO ribbon, Mn+2.67+ is bonded in a water-like geometry to two equivalent O2- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Mn–O bond length. O2- is bonded in a water-like geometry to two equivalent Mn+2.67+ atoms. In each Mn2O3 sheet, Mn+2.67+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.94–2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn+2.67+ atoms. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Mn+2.67+ atoms.