Materials Data on Ag3AuSeS by Materials Project
Ag3AuSeS crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Au1+ is bonded in a 8-coordinate geometry to six Ag1+, one Se2-, and one S2- atom. There are three shorter (3.06 Å) and three longer (3.13 Å) Au–Ag bond lengths. The Au–Se bond length is 2.50 Å. The Au–S bond length is 2.37 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, two equivalent Se2-, and two equivalent S2- atoms. Both Ag–Se bond lengths are 2.91 Å. Both Ag–S bond lengths are 2.71 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, two equivalent Se2-, and two equivalent S2- atoms. Both Ag–Se bond lengths are 2.73 Å. Both Ag–S bond lengths are 2.88 Å. Se2- is bonded in a 7-coordinate geometry to one Au1+ and six Ag1+ atoms. S2- is bonded in a 7-coordinate geometry to one Au1+ and six Ag1+ atoms.