Materials Data on Sr(SO3)2 by Materials Project

Abstract

(SrSO5)2(S)2O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one hydrogen peroxide molecule; two hydrogen sulfide molecules; and one SrSO5 sheet oriented in the (0, 0, 1) direction. In the SrSO5 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.96 Å. S5+ is bonded in a water-like geometry to two O2- atoms. Both S–O bond lengths are 1.51 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one S5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one S5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 1.35 Å. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one O2- atom.