Materials Data on ErIO9 by Materials Project

Abstract

ErO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.27–2.53 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.30 Å. The O–I bond length is 2.23 Å. In the second O site, O is bonded in a water-like geometry to one Er and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er 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 1.30 Å. The O–I bond length is 2.27 Å. In the fifth O site, O is bonded in a water-like geometry to one Er and one I atom. The O–I bond length is 1.88 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Er and one O atom. In the seventh O site, O is bonded in a water-like geometry to one Er and one I atom. The O–I bond length is 1.85 Å. In the eighth O site, O is bonded in a single-bond geometry to one Er atom. In the ninth O site, O is bonded in a water-like geometry to one Er and one O atom. I is bonded in an octahedral geometry to six O atoms.