Materials Data on AgSbS2 by Materials Project

Abstract

AgSbS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are two shorter (2.41 Å) and two longer (3.07 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Ag–S bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.56 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Ag1+ and two equivalent Sb3+ atoms.