Materials Data on Sr4Br6O by Materials Project

Abstract

Sr4OBr6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to one O2- and seven Br1- atoms. The Sr–O bond length is 2.42 Å. There are a spread of Sr–Br bond distances ranging from 3.13–3.44 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Sr–O bond length is 2.40 Å. There are three shorter (3.20 Å) and three longer (3.37 Å) Sr–Br bond lengths. O2- is bonded in a tetrahedral geometry to four Sr2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sr2+ atoms.