Materials Data on SrH2I2O by Materials Project

Abstract

SrH2OI2 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 I1- atoms. Both Sr–O bond lengths are 2.72 Å. There are a spread of Sr–I bond distances ranging from 3.43–3.82 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 0.99 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 distorted water-like geometry to two equivalent Sr2+, two H1+, and one I1- atom. The O–I bond length is 3.51 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and one O2- atom.