Materials Data on Cd2PCl2 by Materials Project

Abstract

Cd2PCl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one P2- and four Cl1- atoms to form distorted CdPCl4 square pyramids that share corners with four equivalent CdPCl4 square pyramids, a cornercorner with one PCd3P tetrahedra, and an edgeedge with one CdPCl4 square pyramid. The Cd–P bond length is 2.51 Å. There are a spread of Cd–Cl bond distances ranging from 2.52–2.98 Å. In the second Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to two equivalent P2- and three Cl1- atoms. There are one shorter (2.54 Å) and one longer (2.55 Å) Cd–P bond lengths. There are a spread of Cd–Cl bond distances ranging from 2.73–3.33 Å. P2- is bonded to three Cd2+ and one P2- atom to form PCd3P tetrahedra that share a cornercorner with one CdPCl4 square pyramid, corners with two equivalent PCd3P tetrahedra, and corners with five equivalent ClCd4 tetrahedra. The P–P bond length is 2.21 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to three Cd2+ atoms. In the second Cl1- site, Cl1- is bonded to four Cd2+ atoms to form distorted ClCd4 tetrahedra that share corners with four equivalent ClCd4 tetrahedra, corners with five equivalent PCd3P tetrahedra, and an edgeedge with one ClCd4 tetrahedra.