Materials Data on MgSO9 by Materials Project

MgSO5(O2)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one MgSO5 ribbon oriented in the (1, 0, 0) direction. In the MgSO5 ribbon, Mg is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.08 Å. S is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.49–1.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.32 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the fourth O site, O is bonded in a water-like geometry to one S and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one Mg atom.