Materials Data on Sn(S4I)4 by Materials Project

Abstract

Sn(S)16(I)4 crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight 7440-31-5 molecules, thirty-two hydriodic acid molecules, and eight S clusters. In each S cluster, there are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. There are one shorter (2.12 Å) and one longer (2.19 Å) S–S bond lengths. In the second S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. There are one shorter (1.93 Å) and one longer (2.39 Å) S–S bond lengths. In the third S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two S+1.50- atoms. There are one shorter (1.99 Å) and one longer (2.23 Å) S–S bond lengths. In the fourth S+1.50- site, S+1.50- is bonded in a 2-coordinate geometry to two S+1.50- atoms. The S–S bond length is 1.93 Å. In the fifth S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to two S+1.50- atoms. The S–S bond length is 1.94 Å. In the sixth S+1.50- site, S+1.50- is bonded in a water-like geometry to two S+1.50- atoms. In the seventh S+1.50- site, S+1.50- is bonded in a distorted bent 120 degrees geometry to two S+1.50- atoms. In the eighth S+1.50- site, S+1.50- is bonded in a single-bond geometry to one S+1.50- atom.