Materials Data on TeC2S2(N2Cl)2 by Materials Project

Abstract

C2TeS2(N2Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 207737-98-2 molecules. C4+ is bonded in a 3-coordinate geometry to two N+1.50- and one S2- atom. There is one shorter (1.30 Å) and one longer (1.32 Å) C–N bond length. The C–S bond length is 1.86 Å. There are two inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Cl1- atoms. Both Te–S bond lengths are 2.67 Å. Both Te–Cl bond lengths are 2.47 Å. S2- is bonded in a distorted water-like geometry to one C4+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom.