Materials Data on HS8N by Materials Project

Abstract

NHS8 is beta Sn-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four octathiazonane molecules. N1- is bonded in a distorted trigonal planar geometry to one H1+ and two S atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.69 Å. H1+ is bonded in a single-bond geometry to one N1- atom. There are eight inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to one N1- and one S atom. The S–S bond length is 2.06 Å. In the second S site, S is bonded in a distorted single-bond geometry to one N1- and one S atom. The S–S bond length is 2.07 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.08 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the fifth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.08 Å. In the sixth S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.07 Å. In the eighth S site, S is bonded in a water-like geometry to two S atoms.