Cu18S11 crystallizes in the triclinic P1 space group. There are eighteen inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted corner-sharing CuS4 trigonal pyramids. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(3) atoms. In the third Cu site, Cu(3) is bonded in a 2-coordinate geometry to two equivalent S(3) atoms. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one S(3) and three equivalent S(5) atoms. In the fifth Cu site, Cu(5) is bonded in a 3-coordinate geometry to one S(5) and three equivalent S(4) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to three equivalent S(4) atoms. In the seventh Cu site, Cu(7) is bonded to one S(4) and three equivalent S(6) atoms to form distorted corner-sharing CuS4 tetrahedra. In the eighth Cu site, Cu(8) is bonded to one S(6) and three equivalent S(8) atoms to form corner-sharing CuS4 tetrahedra. In the ninth Cu site, Cu(9) is bonded to one S(9) and three equivalent S(7) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the tenth Cu site, Cu(10) is bonded to one S(11) and three equivalent S(9) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the eleventh Cu site, Cu(11) is bonded to one S(8) and three equivalent S(7) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the twelfth Cu site, Cu(12) is bonded to one S(7) and three equivalent S(9) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the thirteenth Cu site, Cu(13) is bonded to one S(10) and three equivalent S(11) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the fourteenth Cu site, Cu(14) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(10) atoms. In the fifteenth Cu site, Cu(15) is bonded to one S(9) and three equivalent S(11) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the sixteenth Cu site, Cu(16) is bonded to one S(11) and three equivalent S(10) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. In the seventeenth Cu site, Cu(17) is bonded in a 3-coordinate geometry to three equivalent S(1) atoms. In the eighteenth Cu site, Cu(18) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. There are eleven inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(14), three equivalent Cu(17), and three equivalent Cu(18) atoms. In the second S site, S(2) is bonded to one Cu(2) and three equivalent Cu(1) atoms to form corner-sharing SCu4 trigonal pyramids. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Cu(4), two equivalent Cu(3), and three equivalent Cu(2) atoms. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Cu(7), three equivalent Cu(5), and three equivalent Cu(6) atoms. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Cu(5) and three equivalent Cu(4) atoms. In the sixth S site, S(6) is bonded to one Cu(8) and three equivalent Cu(7) atoms to form distorted corner-sharing SCu4 tetrahedra. In the seventh S site, S(7) is bonded in a 7-coordinate geometry to one Cu(12), three equivalent Cu(11), and three equivalent Cu(9) atoms. In the eighth S site, S(8) is bonded to one Cu(11) and three equivalent Cu(8) atoms to form corner-sharing SCu4 tetrahedra. In the ninth S site, S(9) is bonded in a body-centered cubic geometry to one Cu(15), one Cu(9), three equivalent Cu(10), and three equivalent Cu(12) atoms. In the tenth S site, S(10) is bonded in a 7-coordinate geometry to one Cu(13), three equivalent Cu(14), and three equivalent Cu(16) atoms. In the eleventh S site, S(11) is bonded in a body-centered cubic geometry to one Cu(10), one Cu(16), three equivalent Cu(13), and three equivalent Cu(15) atoms.
Cu18S11 crystallizes in the triclinic P1 space group. There are eighteen inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted corner-sharing CuS4 trigonal pyramids. The Cu(1)-S(1) bond length is 2.70 Å. There is one shorter (2.24 Å) and two longer (2.25 Å) Cu(1)-S(2) bond lengths. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(3) atoms. The Cu(2)-S(2) bond length is 2.20 Å. There are a spread of Cu(2)-S(3) bond distances ranging from 2.31-2.64 Å. In the third Cu site, Cu(3) is bonded in a 2-coordinate geometry to two equivalent S(3) atoms. There is one shorter (2.29 Å) and one longer (2.30 Å) Cu(3)-S(3) bond length. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one S(3) and three equivalent S(5) atoms. The Cu(4)-S(3) bond length is 2.57 Å. There are two shorter (2.27 Å) and one longer (2.38 Å) Cu(4)-S(5) bond length. In the fifth Cu site, Cu(5) is bonded in a 3-coordinate geometry to one S(5) and three equivalent S(4) atoms. The Cu(5)-S(5) bond length is 2.20 Å. There are a spread of Cu(5)-S(4) bond distances ranging from 2.32-2.92 Å. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to three equivalent S(4) atoms. There are a spread of Cu(6)-S(4) bond distances ranging from 2.32-2.66 Å. In the seventh Cu site, Cu(7) is bonded to one S(4) and three equivalent S(6) atoms to form distorted corner-sharing CuS4 tetrahedra. The Cu(7)-S(4) bond length is 2.48 Å. There are a spread of Cu(7)-S(6) bond distances ranging from 2.30-2.34 Å. In the eighth Cu site, Cu(8) is bonded to one S(6) and three equivalent S(8) atoms to form corner-sharing CuS4 tetrahedra. The Cu(8)-S(6) bond length is 2.33 Å. There are two shorter (2.30 Å) and one longer (2.31 Å) Cu(8)-S(8) bond length. In the ninth Cu site, Cu(9) is bonded to one S(9) and three equivalent S(7) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(9)-S(9) bond length is 2.45 Å. There is one shorter (2.35 Å) and two longer (2.36 Å) Cu(9)-S(7) bond lengths. In the tenth Cu site, Cu(10) is bonded to one S(11) and three equivalent S(9) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(10)-S(11) bond length is 2.38 Å. There are a spread of Cu(10)-S(9) bond distances ranging from 2.35-2.37 Å. In the eleventh Cu site, Cu(11) is bonded to one S(8) and three equivalent S(7) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(11)-S(8) bond length is 2.21 Å. There are two shorter (2.39 Å) and one longer (2.44 Å) Cu(11)-S(7) bond length. In the twelfth Cu site, Cu(12) is bonded to one S(7) and three equivalent S(9) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(12)-S(7) bond length is 2.32 Å. There are a spread of Cu(12)-S(9) bond distances ranging from 2.38-2.44 Å. In the thirteenth Cu site, Cu(13) is bonded to one S(10) and three equivalent S(11) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(13)-S(10) bond length is 2.29 Å. There are two shorter (2.38 Å) and one longer (2.39 Å) Cu(13)-S(11) bond length. In the fourteenth Cu site, Cu(14) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(10) atoms. The Cu(14)-S(1) bond length is 2.54 Å. There are a spread of Cu(14)-S(10) bond distances ranging from 2.41-2.48 Å. In the fifteenth Cu site, Cu(15) is bonded to one S(9) and three equivalent S(11) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. The Cu(15)-S(9) bond length is 2.40 Å. There are a spread of Cu(15)-S(11) bond distances ranging from 2.34-2.37 Å. In the sixteenth Cu site, Cu(16) is bonded to one S(11) and three equivalent S(10) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. The Cu(16)-S(11) bond length is 2.55 Å. There are a spread of Cu(16)-S(10) bond distances ranging from 2.28-2.33 Å. In the seventeenth Cu site, Cu(17) is bonded in a 3-coordinate geometry to three equivalent S(1) atoms. There are a spread of Cu(17)-S(1) bond distances ranging from 2.57-2.62 Å. In the eighteenth Cu site, Cu(18) is bonded in a trigonal planar geometry to three equivalent S(1) atoms. There are two shorter (2.23 Å) and one longer (2.24 Å) Cu(18)-S(1) bond length. There are eleven inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(14), three equivalent Cu(17), and three equivalent Cu(18) atoms. In the second S site, S(2) is bonded to one Cu(2) and three equivalent Cu(1) atoms to form corner-sharing SCu4 trigonal pyramids. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Cu(4), two equivalent Cu(3), and three equivalent Cu(2) atoms. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Cu(7), three equivalent Cu(5), and three equivalent Cu(6) atoms. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Cu(5) and three equivalent Cu(4) atoms. In the sixth S site, S(6) is bonded to one Cu(8) and three equivalent Cu(7) atoms to form distorted corner-sharing SCu4 tetrahedra. In the seventh S site, S(7) is bonded in a 7-coordinate geometry to one Cu(12), three equivalent Cu(11), and three equivalent Cu(9) atoms. In the eighth S site, S(8) is bonded to one Cu(11) and three equivalent Cu(8) atoms to form corner-sharing SCu4 tetrahedra. In the ninth S site, S(9) is bonded in a body-centered cubic geometry to one Cu(15), one Cu(9), three equivalent Cu(10), and three equivalent Cu(12) atoms. In the tenth S site, S(10) is bonded in a 7-coordinate geometry to one Cu(13), three equivalent Cu(14), and three equivalent Cu(16) atoms. In the eleventh S site, S(11) is bonded in a body-centered cubic geometry to one Cu(10), one Cu(16), three equivalent Cu(13), and three equivalent Cu(15) atoms.