The structure described by Cu13Se8 crystallizes in the cubic F-43m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(3), three equivalent Cu(1), and three equivalent Cu(2) atoms 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 three equivalent Cu(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu13Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.096
_cell_length_c   8.096
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   375.291
_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  0.747  0.253  0.253  1.0
  Cu  Cu1  1  0.253  0.253  0.747  1.0
  Cu  Cu2  1  0.253  0.747  0.253  1.0
  Cu  Cu3  1  0.747  0.253  0.747  1.0
  Cu  Cu4  1  0.747  0.747  0.253  1.0
  Cu  Cu5  1  0.253  0.747  0.747  1.0
  Cu  Cu6  1  0.996  0.504  0.504  1.0
  Cu  Cu7  1  0.504  0.504  0.996  1.0
  Cu  Cu8  1  0.504  0.996  0.504  1.0
  Cu  Cu9  1  0.996  0.504  0.996  1.0
  Cu  Cu10  1  0.504  0.996  0.996  1.0
  Cu  Cu11  1  0.996  0.996  0.504  1.0
  Cu  Cu12  1  0.000  0.000  0.000  1.0
  Se  Se13  1  0.127  0.127  0.127  1.0
  Se  Se14  1  0.618  0.127  0.127  1.0
  Se  Se15  1  0.127  0.127  0.618  1.0
  Se  Se16  1  0.127  0.618  0.127  1.0
  Se  Se17  1  0.625  0.125  0.625  1.0
  Se  Se18  1  0.625  0.625  0.125  1.0
  Se  Se19  1  0.125  0.625  0.625  1.0
  Se  Se20  1  0.625  0.625  0.625  1.0
[/CIF]
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The structure described by Cu13Se8 crystallizes in the cubic F-43m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(3), three equivalent Cu(1), and three equivalent Cu(2) atoms 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 three equivalent Cu(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu13Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.096
_cell_length_c   8.096
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   375.291
_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  0.747  0.253  0.253  1.0
  Cu  Cu1  1  0.253  0.253  0.747  1.0
  Cu  Cu2  1  0.253  0.747  0.253  1.0
  Cu  Cu3  1  0.747  0.253  0.747  1.0
  Cu  Cu4  1  0.747  0.747  0.253  1.0
  Cu  Cu5  1  0.253  0.747  0.747  1.0
  Cu  Cu6  1  0.996  0.504  0.504  1.0
  Cu  Cu7  1  0.504  0.504  0.996  1.0
  Cu  Cu8  1  0.504  0.996  0.504  1.0
  Cu  Cu9  1  0.996  0.504  0.996  1.0
  Cu  Cu10  1  0.504  0.996  0.996  1.0
  Cu  Cu11  1  0.996  0.996  0.504  1.0
  Cu  Cu12  1  0.000  0.000  0.000  1.0
  Se  Se13  1  0.127  0.127  0.127  1.0
  Se  Se14  1  0.618  0.127  0.127  1.0
  Se  Se15  1  0.127  0.127  0.618  1.0
  Se  Se16  1  0.127  0.618  0.127  1.0
  Se  Se17  1  0.625  0.125  0.625  1.0
  Se  Se18  1  0.625  0.625  0.125  1.0
  Se  Se19  1  0.125  0.625  0.625  1.0
  Se  Se20  1  0.625  0.625  0.625  1.0
[/CIF]
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