CsCoCuS2 crystallizes in the tetragonal I-4m2 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and edges with four equivalent Cu(1)S4 tetrahedra. 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 edges with four equivalent Co(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent Cs(1), two equivalent Co(1), and two equivalent Cu(1) atoms.
CsCoCuS2 crystallizes in the tetragonal I-4m2 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. All Cs(1)-S(1) bond lengths are 3.59 Å. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and edges with four equivalent Cu(1)S4 tetrahedra. All Co(1)-S(1) bond lengths are 2.34 Å. 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 edges with four equivalent Co(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.34 Å. S(1) is bonded in a 8-coordinate geometry to four equivalent Cs(1), two equivalent Co(1), and two equivalent Cu(1) atoms.