Materials Data on SrCrF4 by Materials Project

Abstract

SrCrF4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.47 Å) and four longer (2.59 Å) Sr–F bond lengths. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.47 Å) and four longer (2.60 Å) Sr–F bond lengths. Cr2+ is bonded in a distorted tetrahedral geometry to four F1- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Cr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one Cr2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one Cr2+ atom.