Materials Data on AsS by Materials Project

Abstract

SAs crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two SAs sheets oriented in the (0, 0, 1) direction. there are two 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 (2.22 Å) and two longer (2.39 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.39–2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three As2+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three As2+ atoms.