TlSbS2 crystallizes in the tetragonal I4_1/amd space group. Tl(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. Sb(1) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing SbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. S(1) is bonded to two equivalent Tl(1) and three equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing STl2Sb3 square pyramids.
TlSbS2 crystallizes in the tetragonal I4_1/amd space group. Tl(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. All Tl(1)-S(1) bond lengths are 2.95 Å. Sb(1) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing SbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two shorter (2.72 Å) and four longer (2.95 Å) Sb(1)-S(1) bond lengths. S(1) is bonded to two equivalent Tl(1) and three equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing STl2Sb3 square pyramids.