Materials Data on Cd2ClO3 by Materials Project

Abstract

Cd2O3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to five O and one Cl atom to form distorted edge-sharing CdClO5 octahedra. There are a spread of Cd–O bond distances ranging from 2.26–2.30 Å. The Cd–Cl bond length is 2.60 Å. In the second Cd site, Cd is bonded to four O and two equivalent Cl atoms to form distorted edge-sharing CdCl2O4 octahedra. There are two shorter (2.20 Å) and two longer (2.21 Å) Cd–O bond lengths. Both Cd–Cl bond lengths are 2.86 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Cd atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cd atoms. Cl is bonded in a 3-coordinate geometry to three Cd atoms.