The compound described by 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. is represented by the CIF file [CIF]
data_K3(Cu4S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.828
_cell_length_b   8.852
_cell_length_c   9.797
_cell_angle_alpha   106.355
_cell_angle_beta   90.000
_cell_angle_gamma   102.489
_symmetry_Int_Tables_number   1
_cell_volume   310.385
_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
  K  K0  1  0.307  0.615  0.703  1.0
  K  K1  1  0.693  0.385  0.297  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.486  0.972  0.361  1.0
  Cu  Cu4  1  0.514  0.028  0.639  1.0
  Cu  Cu5  1  0.303  0.607  0.088  1.0
  Cu  Cu6  1  0.089  0.179  0.536  1.0
  Cu  Cu7  1  0.911  0.821  0.464  1.0
  Cu  Cu8  1  0.093  0.186  0.797  1.0
  Cu  Cu9  1  0.907  0.814  0.203  1.0
  Cu  Cu10  1  0.697  0.393  0.912  1.0
  S  S11  1  0.652  0.305  0.653  1.0
  S  S12  1  0.161  0.323  0.024  1.0
  S  S13  1  0.839  0.677  0.976  1.0
  S  S14  1  0.348  0.695  0.347  1.0
  S  S15  1  0.956  0.913  0.703  1.0
  S  S16  1  0.044  0.087  0.297  1.0
[/CIF]
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The compound described by 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. is represented by the CIF file [CIF]
data_K3(Cu4S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.828
_cell_length_b   8.852
_cell_length_c   9.797
_cell_angle_alpha   106.355
_cell_angle_beta   90.000
_cell_angle_gamma   102.489
_symmetry_Int_Tables_number   1
_cell_volume   310.385
_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
  K  K0  1  0.307  0.615  0.703  1.0
  K  K1  1  0.693  0.385  0.297  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.486  0.972  0.361  1.0
  Cu  Cu4  1  0.514  0.028  0.639  1.0
  Cu  Cu5  1  0.303  0.607  0.088  1.0
  Cu  Cu6  1  0.089  0.179  0.536  1.0
  Cu  Cu7  1  0.911  0.821  0.464  1.0
  Cu  Cu8  1  0.093  0.186  0.797  1.0
  Cu  Cu9  1  0.907  0.814  0.203  1.0
  Cu  Cu10  1  0.697  0.393  0.912  1.0
  S  S11  1  0.652  0.305  0.653  1.0
  S  S12  1  0.161  0.323  0.024  1.0
  S  S13  1  0.839  0.677  0.976  1.0
  S  S14  1  0.348  0.695  0.347  1.0
  S  S15  1  0.956  0.913  0.703  1.0
  S  S16  1  0.044  0.087  0.297  1.0
[/CIF]
.