Materials Data on Mg(IO5)2 by Materials Project

Mg(O5I)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Mg(O5I)2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.23 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent I atoms. There are one shorter (1.86 Å) and one longer (2.57 Å) O–I bond lengths. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a single-bond geometry to one Mg atom. In the fifth O site, O is bonded in a single-bond geometry to one Mg atom. I is bonded in a 3-coordinate geometry to four O atoms.