CuTlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Tl(1)S4 tetrahedra. Tl(1) is bonded to four equivalent S(1) atoms to form TlS4 tetrahedra that share corners with four equivalent Tl(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to two equivalent Cu(1) and two equivalent Tl(1) atoms to form corner-sharing STl2Cu2 tetrahedra.
CuTlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Tl(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.29 Å. Tl(1) is bonded to four equivalent S(1) atoms to form TlS4 tetrahedra that share corners with four equivalent Tl(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. All Tl(1)-S(1) bond lengths are 2.60 Å. S(1) is bonded to two equivalent Cu(1) and two equivalent Tl(1) atoms to form corner-sharing STl2Cu2 tetrahedra.