The structure described by Cu9Se5 crystallizes in the triclinic P1 space group. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(5) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(2), one Se(3), one Se(4), and one Se(5) atom. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one Se(1), one Se(2), and one Se(3) atom. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one Se(1), one Se(2), and one Se(3) atom. In the sixth Cu site, Cu(6) is bonded in a distorted tetrahedral geometry to one Se(1), one Se(3), one Se(4), and one Se(5) atom. In the seventh Cu site, Cu(7) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(4), and one Se(5) atom. In the eighth Cu site, Cu(8) is bonded in a distorted trigonal planar geometry to one Se(3), one Se(4), and one Se(5) atom. In the ninth Cu site, Cu(9) is bonded in a distorted trigonal planar geometry to one Se(1), one Se(4), and one Se(5) atom. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(9) atom to form a mixture of distorted corner and edge-sharing SeCu7 hexagonal pyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), and one Cu(7) atom. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), and one Cu(8) atom to form a mixture of distorted corner and edge-sharing SeCu7 hexagonal pyramids. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(3), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. is represented by the CIF file [CIF]
data_Cu9Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   7.116
_cell_length_c   7.131
_cell_angle_alpha   79.329
_cell_angle_beta   66.009
_cell_angle_gamma   66.073
_symmetry_Int_Tables_number   1
_cell_volume   245.943
_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  0.470  0.894  0.694  1.0
  Cu  Cu1  1  0.853  0.711  0.109  1.0
  Cu  Cu2  1  0.264  0.503  0.482  1.0
  Cu  Cu3  1  0.067  0.795  0.730  1.0
  Cu  Cu4  1  0.385  0.793  0.075  1.0
  Cu  Cu5  1  0.638  0.301  0.901  1.0
  Cu  Cu6  1  0.049  0.097  0.312  1.0
  Cu  Cu7  1  0.865  0.402  0.532  1.0
  Cu  Cu8  1  0.592  0.190  0.272  1.0
  Se  Se9  1  0.995  0.006  0.991  1.0
  Se  Se10  1  0.410  0.803  0.400  1.0
  Se  Se11  1  0.790  0.596  0.807  1.0
  Se  Se12  1  0.190  0.402  0.189  1.0
  Se  Se13  1  0.582  0.201  0.610  1.0
[/CIF]
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The structure described by Cu9Se5 crystallizes in the triclinic P1 space group. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(5) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(2), one Se(3), one Se(4), and one Se(5) atom. In the fourth Cu site, Cu(4) is bonded in a distorted trigonal planar geometry to one Se(1), one Se(2), and one Se(3) atom. In the fifth Cu site, Cu(5) is bonded in a distorted trigonal planar geometry to one Se(1), one Se(2), and one Se(3) atom. In the sixth Cu site, Cu(6) is bonded in a distorted tetrahedral geometry to one Se(1), one Se(3), one Se(4), and one Se(5) atom. In the seventh Cu site, Cu(7) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(4), and one Se(5) atom. In the eighth Cu site, Cu(8) is bonded in a distorted trigonal planar geometry to one Se(3), one Se(4), and one Se(5) atom. In the ninth Cu site, Cu(9) is bonded in a distorted trigonal planar geometry to one Se(1), one Se(4), and one Se(5) atom. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), one Cu(4), one Cu(5), one Cu(6), one Cu(7), and one Cu(9) atom to form a mixture of distorted corner and edge-sharing SeCu7 hexagonal pyramids. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), and one Cu(7) atom. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(2), one Cu(3), one Cu(4), one Cu(5), one Cu(6), and one Cu(8) atom to form a mixture of distorted corner and edge-sharing SeCu7 hexagonal pyramids. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(3), one Cu(6), one Cu(7), one Cu(8), and one Cu(9) atom. is represented by the CIF file [CIF]
data_Cu9Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   7.116
_cell_length_c   7.131
_cell_angle_alpha   79.329
_cell_angle_beta   66.009
_cell_angle_gamma   66.073
_symmetry_Int_Tables_number   1
_cell_volume   245.943
_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  0.470  0.894  0.694  1.0
  Cu  Cu1  1  0.853  0.711  0.109  1.0
  Cu  Cu2  1  0.264  0.503  0.482  1.0
  Cu  Cu3  1  0.067  0.795  0.730  1.0
  Cu  Cu4  1  0.385  0.793  0.075  1.0
  Cu  Cu5  1  0.638  0.301  0.901  1.0
  Cu  Cu6  1  0.049  0.097  0.312  1.0
  Cu  Cu7  1  0.865  0.402  0.532  1.0
  Cu  Cu8  1  0.592  0.190  0.272  1.0
  Se  Se9  1  0.995  0.006  0.991  1.0
  Se  Se10  1  0.410  0.803  0.400  1.0
  Se  Se11  1  0.790  0.596  0.807  1.0
  Se  Se12  1  0.190  0.402  0.189  1.0
  Se  Se13  1  0.582  0.201  0.610  1.0
[/CIF]
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