Materials Data on CdI2O7 by Materials Project

Abstract

CdO7I2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CdO7I2 sheet oriented in the (0, 0, 1) direction. Cd is bonded to six O atoms to form edge-sharing CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.26–2.45 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Cd and one I atom. The O–I bond length is 1.85 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Cd and one I atom. The O–I bond length is 1.84 Å. In the sixth O site, O is bonded in a trigonal planar geometry to two equivalent Cd and one I atom. The O–I bond length is 1.86 Å. In the seventh O site, O is bonded in a single-bond geometry to one Cd atom. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three O atoms. In the second I site, I is bonded in a 5-coordinate geometry to three O atoms.