Materials Data on CdIClO3 by Materials Project
CdO3ICl crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two CdO3ICl sheets oriented in the (0, 1, 0) direction. Cd2+ is bonded to four O2- and two equivalent Cl1- atoms to form edge-sharing CdCl2O4 octahedra. There are two shorter (2.36 Å) and two longer (2.39 Å) Cd–O bond lengths. Both Cd–Cl bond lengths are 2.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cd2+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.