Materials Data on Mn3P by Materials Project

Abstract

Mn3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Mn–P bond distances ranging from 2.28–2.33 Å. In the second Mn site, Mn is bonded in a distorted water-like geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.37 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.41 Å. P is bonded in a 9-coordinate geometry to nine Mn atoms.