Materials Data on AgSbS2 by Materials Project

Abstract

AgSbS2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two AgSbS2 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. Both Ag–S bond lengths are 2.40 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Ag–S bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sb–S bond lengths. In the second Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sb–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Sb3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Ag1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two Ag1+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two Sb3+ atoms.