The material described by 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. is represented by the CIF file [CIF]
data_Cu18S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   3.853
_cell_length_c   35.094
_cell_angle_alpha   92.752
_cell_angle_beta   88.844
_cell_angle_gamma   119.577
_symmetry_Int_Tables_number   1
_cell_volume   450.967
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.032  0.061  0.081  1.0
  Cu  Cu1  1  0.319  0.724  0.153  1.0
  Cu  Cu2  1  0.583  0.908  0.217  1.0
  Cu  Cu3  1  0.829  0.546  0.256  1.0
  Cu  Cu4  1  0.078  0.142  0.336  1.0
  Cu  Cu5  1  0.193  0.380  0.402  1.0
  Cu  Cu6  1  0.520  0.040  0.439  1.0
  Cu  Cu7  1  0.851  0.697  0.524  1.0
  Cu  Cu8  1  0.881  0.767  0.653  1.0
  Cu  Cu9  1  0.242  0.491  0.745  1.0
  Cu  Cu10  1  0.207  0.407  0.604  1.0
  Cu  Cu11  1  0.567  0.131  0.697  1.0
  Cu  Cu12  1  0.609  0.225  0.837  1.0
  Cu  Cu13  1  0.995  0.986  0.931  1.0
  Cu  Cu14  1  0.938  0.869  0.791  1.0
  Cu  Cu15  1  0.323  0.631  0.886  1.0
  Cu  Cu16  1  0.335  0.673  0.966  1.0
  Cu  Cu17  1  0.678  0.367  1.000  1.0
  S  S18  1  0.012  0.035  0.004  1.0
  S  S19  1  0.365  0.729  0.090  1.0
  S  S20  1  0.711  0.455  0.184  1.0
  S  S21  1  0.483  0.959  0.368  1.0
  S  S22  1  0.140  0.206  0.274  1.0
  S  S23  1  0.852  0.705  0.458  1.0
  S  S24  1  0.547  0.094  0.631  1.0
  S  S25  1  0.186  0.372  0.541  1.0
  S  S26  1  0.909  0.820  0.723  1.0
  S  S27  1  0.649  0.297  0.902  1.0
  S  S28  1  0.274  0.548  0.813  1.0
[/CIF]
.
The material described by 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. is represented by the CIF file [CIF]
data_Cu18S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   3.853
_cell_length_c   35.094
_cell_angle_alpha   92.752
_cell_angle_beta   88.844
_cell_angle_gamma   119.577
_symmetry_Int_Tables_number   1
_cell_volume   450.967
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.032  0.061  0.081  1.0
  Cu  Cu1  1  0.319  0.724  0.153  1.0
  Cu  Cu2  1  0.583  0.908  0.217  1.0
  Cu  Cu3  1  0.829  0.546  0.256  1.0
  Cu  Cu4  1  0.078  0.142  0.336  1.0
  Cu  Cu5  1  0.193  0.380  0.402  1.0
  Cu  Cu6  1  0.520  0.040  0.439  1.0
  Cu  Cu7  1  0.851  0.697  0.524  1.0
  Cu  Cu8  1  0.881  0.767  0.653  1.0
  Cu  Cu9  1  0.242  0.491  0.745  1.0
  Cu  Cu10  1  0.207  0.407  0.604  1.0
  Cu  Cu11  1  0.567  0.131  0.697  1.0
  Cu  Cu12  1  0.609  0.225  0.837  1.0
  Cu  Cu13  1  0.995  0.986  0.931  1.0
  Cu  Cu14  1  0.938  0.869  0.791  1.0
  Cu  Cu15  1  0.323  0.631  0.886  1.0
  Cu  Cu16  1  0.335  0.673  0.966  1.0
  Cu  Cu17  1  0.678  0.367  1.000  1.0
  S  S18  1  0.012  0.035  0.004  1.0
  S  S19  1  0.365  0.729  0.090  1.0
  S  S20  1  0.711  0.455  0.184  1.0
  S  S21  1  0.483  0.959  0.368  1.0
  S  S22  1  0.140  0.206  0.274  1.0
  S  S23  1  0.852  0.705  0.458  1.0
  S  S24  1  0.547  0.094  0.631  1.0
  S  S25  1  0.186  0.372  0.541  1.0
  S  S26  1  0.909  0.820  0.723  1.0
  S  S27  1  0.649  0.297  0.902  1.0
  S  S28  1  0.274  0.548  0.813  1.0
[/CIF]
.