Materials Data on Sr3MnF12 by Materials Project

Abstract

Sr3MnF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to eight F atoms. There are four shorter (2.48 Å) and four longer (2.74 Å) Sr–F bond lengths. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Sr–F bond distances ranging from 2.44–2.70 Å. Mn is bonded in a square co-planar geometry to four equivalent F atoms. All Mn–F bond lengths are 1.84 Å. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two Sr atoms. In the second F site, F is bonded in a trigonal planar geometry to three equivalent Sr atoms. In the third F site, F is bonded in a distorted single-bond geometry to one Sr and one Mn atom.