Materials Data on Sr(HO)2 by Materials Project

Abstract

Sr(OH)2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Sr–H bond length is 2.57 Å. There are a spread of Sr–O bond distances ranging from 2.54–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Sr–H bond length is 2.56 Å. There are a spread of Sr–O bond distances ranging from 2.50–2.64 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and 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 Sr2+ and one O2- atom. The H–O bond length is 0.98 Å. In the third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Sr2+ and one H1+ atom.