Materials Data on AsS2 by Materials Project

Abstract

SSAs crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two SSAs ribbons oriented in the (1, 0, 1) direction. there are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.27–2.36 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.28–2.35 Å. In the third As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.29–2.34 Å. In the fourth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.26–2.36 Å. 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 one As3+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the second S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the third S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. In the fourth S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. In the fifth S+1.50- site, S+1.50- is bonded in an L-shaped geometry to two As3+ atoms. In the sixth S+1.50- site, S+1.50- is bonded in a water-like geometry to two As3+ atoms. In the seventh S+1.50- site, S+1.50- is bonded in a water-like geometry to two As3+ atoms. In the eighth S+1.50- site, S+1.50- is bonded in an L-shaped geometry to two As3+ atoms.