Materials Data on Ag5BS4 by Materials Project
Ag5BS4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four S2- atoms. Both Ag–Ag bond lengths are 2.77 Å. There are two shorter (2.60 Å) and two longer (2.64 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 9-coordinate geometry to six Ag1+ and three equivalent S2- atoms. All Ag–Ag bond lengths are 2.82 Å. All Ag–S bond lengths are 2.95 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All B–S bond lengths are 1.99 Å. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All B–S bond lengths are 1.99 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent Ag1+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six Ag1+ and one B3+ atom.