Materials Data on Cs2MnF5 by Materials Project

Abstract

Cs2MnF5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (3.18 Å) and two longer (3.26 Å) Cs–F bond lengths. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.90 Å) and two longer (2.15 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Mn3+ atoms.