Li3AuS2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Au(1) and four equivalent S(1) atoms. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form distorted edge-sharing LiS4 tetrahedra. Au(1) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to two equivalent Li(2), four equivalent Li(1), and one Au(1) atom.
Li3AuS2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Au(1) and four equivalent S(1) atoms. Both Li(1)-Au(1) bond lengths are 2.99 Å. There are two shorter (2.47 Å) and two longer (2.50 Å) Li(1)-S(1) bond lengths. In the second Li site, Li(2) is bonded to four equivalent S(1) atoms to form distorted edge-sharing LiS4 tetrahedra. All Li(2)-S(1) bond lengths are 2.53 Å. Au(1) is bonded in a 6-coordinate geometry to four equivalent Li(1) and two equivalent S(1) atoms. Both Au(1)-S(1) bond lengths are 2.32 Å. S(1) is bonded in a 7-coordinate geometry to two equivalent Li(2), four equivalent Li(1), and one Au(1) atom.