The crystal structure described by Cu9S5 crystallizes in the triclinic P1 space group. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), one S(3), and one S(5) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the third Cu site, Cu(3) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one S(2), one S(3), one S(4), and one S(5) atom. In the sixth Cu site, Cu(6) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one S(1), one S(3), one S(4), and one S(5) atom. In the eighth Cu site, Cu(8) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the ninth Cu site, Cu(9) is bonded in a distorted trigonal planar geometry to one S(1), one S(2), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. In the second S site, S(2) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(8), and one Cu(9) atom. In the third S site, S(3) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(8) atom. In the fourth S site, S(4) is bonded in a 8-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. In the fifth S site, S(5) is bonded in a distorted hexagonal bipyramidal geometry to one Cu(1), one Cu(2), one Cu(4), one Cu(5), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. is represented by the CIF card [CIF]
data_Cu9S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.792
_cell_length_b   6.510
_cell_length_c   6.522
_cell_angle_alpha   79.572
_cell_angle_beta   115.731
_cell_angle_gamma   115.974
_symmetry_Int_Tables_number   1
_cell_volume   199.136
_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  0.000  0.977  0.675  1.0
  Cu  Cu1  1  0.482  0.026  0.988  1.0
  Cu  Cu2  1  0.649  0.698  0.096  1.0
  Cu  Cu3  1  0.147  0.817  0.422  1.0
  Cu  Cu4  1  0.136  0.419  0.524  1.0
  Cu  Cu5  1  0.699  0.584  0.764  1.0
  Cu  Cu6  1  0.880  0.274  0.831  1.0
  Cu  Cu7  1  0.277  0.375  0.219  1.0
  Cu  Cu8  1  0.591  0.127  0.389  1.0
  S  S9  1  0.036  0.003  0.041  1.0
  S  S10  1  0.572  0.762  0.404  1.0
  S  S11  1  0.203  0.640  0.797  1.0
  S  S12  1  0.790  0.393  0.163  1.0
  S  S13  1  0.402  0.202  0.603  1.0
[/CIF]
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The crystal structure described by Cu9S5 crystallizes in the triclinic P1 space group. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), one S(3), and one S(5) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the third Cu site, Cu(3) is bonded in a distorted tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one S(2), one S(3), one S(4), and one S(5) atom. In the sixth Cu site, Cu(6) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the seventh Cu site, Cu(7) is bonded in a 3-coordinate geometry to one S(1), one S(3), one S(4), and one S(5) atom. In the eighth Cu site, Cu(8) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), one S(4), and one S(5) atom. In the ninth Cu site, Cu(9) is bonded in a distorted trigonal planar geometry to one S(1), one S(2), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. In the second S site, S(2) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(8), and one Cu(9) atom. In the third S site, S(3) is bonded in a 8-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(8) atom. In the fourth S site, S(4) is bonded in a 8-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. In the fifth S site, S(5) is bonded in a distorted hexagonal bipyramidal geometry to one Cu(1), one Cu(2), one Cu(4), one Cu(5), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. is represented by the CIF card [CIF]
data_Cu9S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.792
_cell_length_b   6.510
_cell_length_c   6.522
_cell_angle_alpha   79.572
_cell_angle_beta   115.731
_cell_angle_gamma   115.974
_symmetry_Int_Tables_number   1
_cell_volume   199.136
_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  0.000  0.977  0.675  1.0
  Cu  Cu1  1  0.482  0.026  0.988  1.0
  Cu  Cu2  1  0.649  0.698  0.096  1.0
  Cu  Cu3  1  0.147  0.817  0.422  1.0
  Cu  Cu4  1  0.136  0.419  0.524  1.0
  Cu  Cu5  1  0.699  0.584  0.764  1.0
  Cu  Cu6  1  0.880  0.274  0.831  1.0
  Cu  Cu7  1  0.277  0.375  0.219  1.0
  Cu  Cu8  1  0.591  0.127  0.389  1.0
  S  S9  1  0.036  0.003  0.041  1.0
  S  S10  1  0.572  0.762  0.404  1.0
  S  S11  1  0.203  0.640  0.797  1.0
  S  S12  1  0.790  0.393  0.163  1.0
  S  S13  1  0.402  0.202  0.603  1.0
[/CIF]
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