Materials Data on TeS7Br2 by Materials Project

Abstract

TeS7(Br)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four TeS7 clusters. In each TeS7 cluster, Te4+ is bonded in a water-like geometry to two equivalent S2- atoms. Both Te–S bond lengths are 2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Te4+ and one S2- atom. The S–S bond length is 2.01 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.06 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two equivalent S2- atoms.