The structure described by KCu7S4 crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted body-centered cubic geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(4) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(3) atoms. 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 3-coordinate geometry to one S(4) and two equivalent S(2) atoms. In the fifth Cu site, Cu(5) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(1), one S(4), and two equivalent S(3) atoms. In the seventh Cu site, Cu(7) is bonded in a 2-coordinate geometry to one S(2) and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Cu(1), one Cu(5), one Cu(6), and two equivalent Cu(3) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent K(1), one Cu(2), one Cu(7), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the third S site, S(3) is bonded in a 9-coordinate geometry to two equivalent K(1), one Cu(3), one Cu(5), one Cu(7), two equivalent Cu(2), and two equivalent Cu(6) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cu(4), one Cu(6), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu7S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.844
_cell_length_b   7.369
_cell_length_c   7.404
_cell_angle_alpha   85.196
_cell_angle_beta   75.171
_cell_angle_gamma   75.813
_symmetry_Int_Tables_number   1
_cell_volume   196.520
_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  0.996  0.002  0.999  1.0
  Cu  Cu1  1  0.988  0.337  0.615  1.0
  Cu  Cu2  1  0.951  0.657  0.388  1.0
  Cu  Cu3  1  0.660  0.384  0.338  1.0
  Cu  Cu4  1  0.378  0.609  0.658  1.0
  Cu  Cu5  1  0.299  0.908  0.459  1.0
  Cu  Cu6  1  0.272  0.422  0.086  1.0
  Cu  Cu7  1  0.793  0.577  0.893  1.0
  S  S8  1  0.245  0.198  0.336  1.0
  S  S9  1  0.776  0.819  0.661  1.0
  S  S10  1  0.539  0.672  0.191  1.0
  S  S11  1  0.408  0.320  0.797  1.0
[/CIF]
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The structure described by KCu7S4 crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted body-centered cubic geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(4) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(3) atoms. 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 3-coordinate geometry to one S(4) and two equivalent S(2) atoms. In the fifth Cu site, Cu(5) is bonded in a 4-coordinate geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one S(1), one S(4), and two equivalent S(3) atoms. In the seventh Cu site, Cu(7) is bonded in a 2-coordinate geometry to one S(2) and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Cu(1), one Cu(5), one Cu(6), and two equivalent Cu(3) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to two equivalent K(1), one Cu(2), one Cu(7), two equivalent Cu(4), and two equivalent Cu(5) atoms. In the third S site, S(3) is bonded in a 9-coordinate geometry to two equivalent K(1), one Cu(3), one Cu(5), one Cu(7), two equivalent Cu(2), and two equivalent Cu(6) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cu(4), one Cu(6), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu7S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.844
_cell_length_b   7.369
_cell_length_c   7.404
_cell_angle_alpha   85.196
_cell_angle_beta   75.171
_cell_angle_gamma   75.813
_symmetry_Int_Tables_number   1
_cell_volume   196.520
_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  0.996  0.002  0.999  1.0
  Cu  Cu1  1  0.988  0.337  0.615  1.0
  Cu  Cu2  1  0.951  0.657  0.388  1.0
  Cu  Cu3  1  0.660  0.384  0.338  1.0
  Cu  Cu4  1  0.378  0.609  0.658  1.0
  Cu  Cu5  1  0.299  0.908  0.459  1.0
  Cu  Cu6  1  0.272  0.422  0.086  1.0
  Cu  Cu7  1  0.793  0.577  0.893  1.0
  S  S8  1  0.245  0.198  0.336  1.0
  S  S9  1  0.776  0.819  0.661  1.0
  S  S10  1  0.539  0.672  0.191  1.0
  S  S11  1  0.408  0.320  0.797  1.0
[/CIF]
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