K3Cu8S6 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent S(3) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. In the second Cu site, Cu(2) is bonded to one S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(1) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted bent 120 degrees geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 9-coordinate geometry to three equivalent K(1), one Cu(1), one Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent K(2), one Cu(4), and three equivalent Cu(2) atoms. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent K(2), one Cu(3), one Cu(4), and two equivalent Cu(1) atoms.
K3Cu8S6 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. Both K(1)-S(2) bond lengths are 3.20 Å. Both K(1)-S(3) bond lengths are 3.21 Å. There are two shorter (3.21 Å) and one longer (3.75 Å) K(1)-S(1) bond length. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent S(2) and four equivalent S(3) atoms. All K(2)-S(2) bond lengths are 3.33 Å. All K(2)-S(3) bond lengths are 3.38 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. The Cu(1)-S(1) bond length is 2.36 Å. Both Cu(1)-S(3) bond lengths are 2.32 Å. In the second Cu site, Cu(2) is bonded to one S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(2)-S(1) bond length is 2.43 Å. There is one shorter (2.35 Å) and two longer (2.37 Å) Cu(2)-S(2) bond lengths. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(1) atoms. The Cu(3)-S(3) bond length is 2.25 Å. Both Cu(3)-S(1) bond lengths are 2.33 Å. In the fourth Cu site, Cu(4) is bonded in a distorted bent 120 degrees geometry to one S(2), one S(3), and two equivalent S(1) atoms. The Cu(4)-S(2) bond length is 2.19 Å. The Cu(4)-S(3) bond length is 2.27 Å. Both Cu(4)-S(1) bond lengths are 2.75 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 9-coordinate geometry to three equivalent K(1), one Cu(1), one Cu(2), two equivalent Cu(3), and two equivalent Cu(4) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent K(2), one Cu(4), and three equivalent Cu(2) atoms. In the third S site, S(3) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent K(2), one Cu(3), one Cu(4), and two equivalent Cu(1) atoms.