The crystal structure described by Cu2Se is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted q6 geometry to four equivalent Cu(2) and six equivalent Se(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 10-coordinate geometry to four equivalent Cu(2) and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.090
_cell_length_c   4.090
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   48.389
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.750  0.750  0.750  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Cu2Se is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted q6 geometry to four equivalent Cu(2) and six equivalent Se(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted body-centered cubic geometry to four equivalent Cu(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 10-coordinate geometry to four equivalent Cu(2) and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.090
_cell_length_b   4.090
_cell_length_c   4.090
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   48.389
_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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.750  0.750  0.750  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
[/CIF]
.