The compound described by Cu2SCuS crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to five equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing CuS5 square pyramids. S(1) is bonded to two equivalent Cu(1) and five equivalent Cu(2) atoms to form a mixture of distorted edge, face, and corner-sharing SCu7 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Cu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.473
_cell_length_b   5.934
_cell_length_c   3.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   71.553
_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  0.500  0.750  0.000  1.0
  Cu  Cu1  1  0.000  0.420  0.000  1.0
  Cu  Cu2  1  0.500  0.080  0.500  1.0
  S  S3  1  0.000  0.018  0.000  1.0
  S  S4  1  0.500  0.482  0.500  1.0
[/CIF]
.
The compound described by Cu2SCuS crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to five equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing CuS5 square pyramids. S(1) is bonded to two equivalent Cu(1) and five equivalent Cu(2) atoms to form a mixture of distorted edge, face, and corner-sharing SCu7 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Cu3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.473
_cell_length_b   5.934
_cell_length_c   3.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   71.553
_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  0.500  0.750  0.000  1.0
  Cu  Cu1  1  0.000  0.420  0.000  1.0
  Cu  Cu2  1  0.500  0.080  0.500  1.0
  S  S3  1  0.000  0.018  0.000  1.0
  S  S4  1  0.500  0.482  0.500  1.0
[/CIF]
.