Materials Data on TeC2S2(BrN2)2 by Materials Project

Abstract

C2Te(N2S)2(Br)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four C2Te(N2S)2 clusters. In each C2Te(N2S)2 cluster, C4+ is bonded in a distorted trigonal planar geometry to two N3- and one S2- atom. There is one shorter (1.29 Å) and one longer (1.31 Å) C–N bond length. The C–S bond length is 1.85 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a 2-coordinate geometry to two equivalent S2- atoms. Both Te–S bond lengths are 2.64 Å. S2- is bonded in a distorted water-like geometry to one C4+ and one Te4+ atom.