Materials Data on MnF3 by Materials Project

Abstract

MnF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 40–42°. There are a spread of Mn–F bond distances ranging from 1.87–2.17 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Mn3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mn3+ atoms.