Materials Data on AsS by Materials Project

Abstract

SAs crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SAs clusters. there are eight inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fifth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the sixth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the seventh As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.37 Å. In the eighth As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.37 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.