TlInS2 crystallizes in the monoclinic C2/m space group. Tl(1) is bonded to two equivalent In(1) and six equivalent S(1) atoms to form a mixture of edge and corner-sharing TlIn2S6 hexagonal bipyramids. In(1) is bonded in a distorted square co-planar geometry to two equivalent Tl(1) and two equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to three equivalent Tl(1), one In(1), and one S(1) atom.
TlInS2 crystallizes in the monoclinic C2/m space group. Tl(1) is bonded to two equivalent In(1) and six equivalent S(1) atoms to form a mixture of edge and corner-sharing TlIn2S6 hexagonal bipyramids. Both Tl(1)-In(1) bond lengths are 3.26 Å. There are four shorter (3.20 Å) and two longer (3.23 Å) Tl(1)-S(1) bond lengths. In(1) is bonded in a distorted square co-planar geometry to two equivalent Tl(1) and two equivalent S(1) atoms. Both In(1)-S(1) bond lengths are 3.04 Å. S(1) is bonded in a 5-coordinate geometry to three equivalent Tl(1), one In(1), and one S(1) atom. The S(1)-S(1) bond length is 2.10 Å.