Materials Data on MnPO4 by Materials Project

Abstract

MnPO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mn3+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.90 Å) and two longer (1.92 Å) Mn–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent MnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom.