Materials Data on MnPO4 by Materials Project

Abstract

MnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mn–O bond distances ranging from 1.98–2.61 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in an L-shaped geometry to one Mn3+ and one P5+ atom.