Materials Data on CdIO9 by Materials Project

Abstract

CdO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one CdO9I sheet oriented in the (1, 0, 0) direction. Cd is bonded to eight O atoms to form distorted CdO8 hexagonal bipyramids that share an edgeedge with one CdO8 hexagonal bipyramid and edges with two equivalent IO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.32–2.54 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Cd atoms. In the second O site, O is bonded in a single-bond geometry to one Cd atom. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.88 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cd atom. In the fifth O site, O is bonded in a water-like geometry to one Cd and one I atom. The O–I bond length is 1.93 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Cd and one I atom. The O–I bond length is 1.93 Å. In the seventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.90 Å. In the eighth O site, O is bonded in a distorted L-shaped geometry to one Cd and one I atom. The O–I bond length is 1.90 Å. In the ninth O site, O is bonded in a water-like geometry to one Cd and one I atom. The O–I bond length is 1.86 Å. I is bonded to six O atoms to form IO6 octahedra that share edges with two equivalent CdO8 hexagonal bipyramids.