Materials Data on MgSO9 by Materials Project

Abstract

MgSO9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.63 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 1.49–1.69 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Mg and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a distorted water-like geometry to one S and one O atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Mg and one O atom. The O–O bond length is 1.27 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Mg and one O atom. The O–O bond length is 1.44 Å. In the eighth O site, O is bonded in a distorted water-like geometry to one S and one O atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom.