Materials Data on MnSeO4 by Materials Project

Abstract

MnSeO4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two MnSeO4 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six O2- atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mn–O bond distances ranging from 1.74–2.25 Å. Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.76 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mn2+ atom.