Materials Data on MnZnF5 by Materials Project

Abstract

MnZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–F bond distances ranging from 1.85–2.16 Å. Zn2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.98–2.08 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mn3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Mn3+ and one Zn2+ atom.