Materials Data on Ag5SbS4 by Materials Project

Abstract

Ag5SbS4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.68 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–3.20 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.48 Å) and two longer (2.56 Å) Ag–S bond lengths. Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.47 Å) and one longer (2.52 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.