Materials Data on AuCS2Cl3 by Materials Project

Abstract

AuCS2Cl3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight AuCS2Cl3 clusters. Au3+ is bonded in a distorted rectangular see-saw-like geometry to two S2- and two Cl1- atoms. There are one shorter (2.35 Å) and one longer (2.36 Å) Au–S bond lengths. There are one shorter (2.33 Å) and one longer (2.34 Å) Au–Cl bond lengths. C4+ is bonded in a trigonal planar geometry to two S2- and one Cl1- atom. Both C–S bond lengths are 1.69 Å. The C–Cl bond length is 1.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Au3+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Au3+ and one C4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom.