Materials Data on SnCS(NCl)2 by Materials Project

Abstract

SnCS(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SnCS(NCl)2 clusters. Sn4+ is bonded in a 2-coordinate geometry to one S2- and two Cl1- atoms. The Sn–S bond length is 3.07 Å. There are one shorter (2.46 Å) and one longer (2.51 Å) Sn–Cl bond lengths. C4+ is bonded in a 3-coordinate geometry to two N2- and one S2- atom. Both C–N bond lengths are 1.39 Å. The C–S bond length is 1.61 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. The N–N bond length is 1.30 Å. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. S2- is bonded in a 2-coordinate geometry to one Sn4+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.