Materials Data on CdC2S2(N2Cl)2 by Materials Project

Abstract

CdC2S2(N2Cl)2 is alpha Niobium phosphide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is zero-dimensional and consists of two CdC2S2(N2Cl)2 clusters. Cd2+ is bonded in a 4-coordinate geometry to two equivalent S2- and two Cl1- atoms. Both Cd–S bond lengths are 2.64 Å. There are one shorter (2.45 Å) and one longer (2.53 Å) Cd–Cl bond lengths. C4+ is bonded in a linear geometry to two N1- atoms. There is one shorter (1.18 Å) and one longer (1.32 Å) C–N bond length. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. In the second N1- site, N1- is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.60 Å. S2- is bonded in a 1-coordinate geometry to one Cd2+ and one N1- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.