Cu3AsS3 crystallizes in the cubic I-43m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded in an L-shaped geometry to two equivalent S(1) atoms. As(1) is bonded in a distorted T-shaped geometry to three equivalent S(1) atoms. S(1) is bonded to one Cu(2), two equivalent Cu(1), and one As(1) atom to form corner-sharing SCu3As tetrahedra.
Cu3AsS3 crystallizes in the cubic I-43m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form corner-sharing CuS4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.30 Å. In the second Cu site, Cu(2) is bonded in an L-shaped geometry to two equivalent S(1) atoms. Both Cu(2)-S(1) bond lengths are 2.34 Å. As(1) is bonded in a distorted T-shaped geometry to three equivalent S(1) atoms. All As(1)-S(1) bond lengths are 2.28 Å. S(1) is bonded to one Cu(2), two equivalent Cu(1), and one As(1) atom to form corner-sharing SCu3As tetrahedra.