Materials Data on TeH12AuC4S3N by Materials Project

Abstract

AuTeS3N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two AuTeS3 clusters. In each AuTeS3 cluster, Au1- is bonded in a linear geometry to two S2- atoms. Both Au–S bond lengths are 2.32 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Te–S bond distances ranging from 2.31–2.44 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one Te2- atom. In the second S2- site, S2- is bonded in a water-like geometry to one Au1- and one Te2- atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one Au1- and one Te2- atom.