Materials Data on AsS by Materials Project

Abstract

SAs crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of two SAs ribbons oriented in the (0, 0, 1) direction. there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of As–S bond distances ranging from 2.44–2.93 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.29 Å) and one longer (2.36 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four As2+ atoms to form distorted corner-sharing SAs4 trigonal pyramids. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three As2+ atoms.