Materials Data on Mg(IO8)2 by Materials Project

Abstract

Mg(O6I)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two Mg(O6I)2 clusters. In each Mg(O6I)2 cluster, Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.89 Å) and two longer (2.30 Å) Mg–O bond lengths. There are six 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 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mg and one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. I is bonded in a tetrahedral geometry to four O atoms.