Materials Data on SrH2Br2O by Materials Project
SrH2OBr2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Br1- atoms. Both Sr–O bond lengths are 2.69 Å. There are a spread of Sr–Br bond distances ranging from 3.19–3.54 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to four equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms.