The material structure described by Cu7S4 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(2) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(3), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), and two equivalent Cu(5) atoms. In the third S site, S(2) is bonded in a distorted hexagonal planar geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(5), and two equivalent Cu(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu7S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.831
_cell_length_b   7.882
_cell_length_c   10.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   665.483
_cell_formula_units_Z   4
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  0.515  0.750  0.160  1.0
  Cu  Cu1  1  0.985  0.250  0.660  1.0
  Cu  Cu2  1  0.419  0.750  0.828  1.0
  Cu  Cu3  1  0.514  0.750  0.411  1.0
  Cu  Cu4  1  0.278  0.088  0.161  1.0
  Cu  Cu5  1  0.015  0.750  0.340  1.0
  Cu  Cu6  1  0.342  0.021  0.441  1.0
  Cu  Cu7  1  0.842  0.479  0.059  1.0
  Cu  Cu8  1  0.722  0.912  0.839  1.0
  Cu  Cu9  1  0.222  0.588  0.661  1.0
  Cu  Cu10  1  0.486  0.250  0.589  1.0
  Cu  Cu11  1  0.658  0.521  0.559  1.0
  Cu  Cu12  1  0.722  0.588  0.839  1.0
  Cu  Cu13  1  0.014  0.750  0.089  1.0
  Cu  Cu14  1  0.158  0.979  0.941  1.0
  Cu  Cu15  1  0.222  0.912  0.661  1.0
  Cu  Cu16  1  0.919  0.750  0.672  1.0
  Cu  Cu17  1  0.342  0.479  0.441  1.0
  Cu  Cu18  1  0.842  0.021  0.059  1.0
  Cu  Cu19  1  0.485  0.250  0.840  1.0
  Cu  Cu20  1  0.581  0.250  0.172  1.0
  Cu  Cu21  1  0.778  0.088  0.339  1.0
  Cu  Cu22  1  0.278  0.412  0.161  1.0
  Cu  Cu23  1  0.778  0.412  0.339  1.0
  Cu  Cu24  1  0.658  0.979  0.559  1.0
  Cu  Cu25  1  0.986  0.250  0.911  1.0
  Cu  Cu26  1  0.158  0.521  0.941  1.0
  Cu  Cu27  1  0.081  0.250  0.328  1.0
  S  S28  1  0.210  0.250  0.515  1.0
  S  S29  1  0.009  1.000  0.231  1.0
  S  S30  1  0.790  0.750  0.485  1.0
  S  S31  1  0.509  0.500  0.269  1.0
  S  S32  1  0.491  0.500  0.731  1.0
  S  S33  1  0.736  0.750  0.017  1.0
  S  S34  1  0.991  0.000  0.769  1.0
  S  S35  1  0.236  0.750  0.483  1.0
  S  S36  1  0.991  0.500  0.769  1.0
  S  S37  1  0.509  1.000  0.269  1.0
  S  S38  1  0.264  0.250  0.983  1.0
  S  S39  1  0.009  0.500  0.231  1.0
  S  S40  1  0.290  0.750  0.015  1.0
  S  S41  1  0.491  0.000  0.731  1.0
  S  S42  1  0.764  0.250  0.517  1.0
  S  S43  1  0.710  0.250  0.985  1.0
[/CIF]
.
The material structure described by Cu7S4 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one S(3) and two equivalent S(2) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(3), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), and two equivalent Cu(5) atoms. In the third S site, S(2) is bonded in a distorted hexagonal planar geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(5), and two equivalent Cu(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu7S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.831
_cell_length_b   7.882
_cell_length_c   10.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   665.483
_cell_formula_units_Z   4
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  0.515  0.750  0.160  1.0
  Cu  Cu1  1  0.985  0.250  0.660  1.0
  Cu  Cu2  1  0.419  0.750  0.828  1.0
  Cu  Cu3  1  0.514  0.750  0.411  1.0
  Cu  Cu4  1  0.278  0.088  0.161  1.0
  Cu  Cu5  1  0.015  0.750  0.340  1.0
  Cu  Cu6  1  0.342  0.021  0.441  1.0
  Cu  Cu7  1  0.842  0.479  0.059  1.0
  Cu  Cu8  1  0.722  0.912  0.839  1.0
  Cu  Cu9  1  0.222  0.588  0.661  1.0
  Cu  Cu10  1  0.486  0.250  0.589  1.0
  Cu  Cu11  1  0.658  0.521  0.559  1.0
  Cu  Cu12  1  0.722  0.588  0.839  1.0
  Cu  Cu13  1  0.014  0.750  0.089  1.0
  Cu  Cu14  1  0.158  0.979  0.941  1.0
  Cu  Cu15  1  0.222  0.912  0.661  1.0
  Cu  Cu16  1  0.919  0.750  0.672  1.0
  Cu  Cu17  1  0.342  0.479  0.441  1.0
  Cu  Cu18  1  0.842  0.021  0.059  1.0
  Cu  Cu19  1  0.485  0.250  0.840  1.0
  Cu  Cu20  1  0.581  0.250  0.172  1.0
  Cu  Cu21  1  0.778  0.088  0.339  1.0
  Cu  Cu22  1  0.278  0.412  0.161  1.0
  Cu  Cu23  1  0.778  0.412  0.339  1.0
  Cu  Cu24  1  0.658  0.979  0.559  1.0
  Cu  Cu25  1  0.986  0.250  0.911  1.0
  Cu  Cu26  1  0.158  0.521  0.941  1.0
  Cu  Cu27  1  0.081  0.250  0.328  1.0
  S  S28  1  0.210  0.250  0.515  1.0
  S  S29  1  0.009  1.000  0.231  1.0
  S  S30  1  0.790  0.750  0.485  1.0
  S  S31  1  0.509  0.500  0.269  1.0
  S  S32  1  0.491  0.500  0.731  1.0
  S  S33  1  0.736  0.750  0.017  1.0
  S  S34  1  0.991  0.000  0.769  1.0
  S  S35  1  0.236  0.750  0.483  1.0
  S  S36  1  0.991  0.500  0.769  1.0
  S  S37  1  0.509  1.000  0.269  1.0
  S  S38  1  0.264  0.250  0.983  1.0
  S  S39  1  0.009  0.500  0.231  1.0
  S  S40  1  0.290  0.750  0.015  1.0
  S  S41  1  0.491  0.000  0.731  1.0
  S  S42  1  0.764  0.250  0.517  1.0
  S  S43  1  0.710  0.250  0.985  1.0
[/CIF]
.