Materials Data on LuIO9 by Materials Project

LuO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Lu is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Lu–O bond distances ranging from 2.18–2.54 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a water-like geometry to one Lu and one I atom. The O–I bond length is 1.85 Å. In the third O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Lu and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.32 Å. The O–I bond length is 2.49 Å. In the fifth O site, O is bonded in a water-like geometry to one Lu and one I atom. The O–I bond length is 1.86 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one Lu atom. In the seventh O site, O is bonded in a water-like geometry to one Lu and one I atom. The O–I bond length is 1.87 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Lu and one O atom. The O–O bond length is 1.31 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to two O atoms. I is bonded in a 6-coordinate geometry to six O atoms.