Materials Data on BaMn2O4 by Materials Project

BaMn2O4 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four BaMn2O4 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are a spread of Ba–O bond distances ranging from 2.55–3.03 Å. Mn3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.77–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Ba2+ and three equivalent Mn3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba2+ and one Mn3+ atom.