Materials Data on SrBr2 by Materials Project

Abstract

SrBr2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.15–3.65 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.18 Å) and four longer (3.20 Å) Sr–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Sr2+ atoms to form a mixture of distorted edge and corner-sharing BrSr4 trigonal pyramids. In the second Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing BrSr4 tetrahedra. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to four Sr2+ atoms. In the fourth Br1- site, Br1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing BrSr4 tetrahedra.