Materials Data on NdIO9 by Materials Project

Abstract

NdO7IO2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one NdO7I sheet oriented in the (1, 0, 0) direction. In the NdO7I sheet, Nd is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.35–3.27 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Nd and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a water-like geometry to one Nd and one I atom. The O–I bond length is 1.84 Å. In the fifth O site, O is bonded in a water-like geometry to one Nd 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 Nd and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. I is bonded in a trigonal bipyramidal geometry to five O atoms.