The crystal structure described by Cu2Cd is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to six equivalent Cu(1) and six equivalent Cd(1) atoms to form a mixture of corner, edge, and face-sharing CuCd6Cu6 cuboctahedra. In the second Cu site, Cu(1) is bonded to two equivalent Cu(2), four equivalent Cu(1), and six equivalent Cd(1) atoms to form a mixture of corner, edge, and face-sharing CuCd6Cu6 cuboctahedra. Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), nine equivalent Cu(1), and four equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   7.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   172.090
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.333  0.667  0.439  1.0
  Cd  Cd1  1  0.667  0.333  0.939  1.0
  Cd  Cd2  1  0.667  0.333  0.561  1.0
  Cd  Cd3  1  0.333  0.667  0.061  1.0
  Cu  Cu4  1  0.169  0.338  0.750  1.0
  Cu  Cu5  1  0.831  0.169  0.250  1.0
  Cu  Cu6  1  0.338  0.169  0.250  1.0
  Cu  Cu7  1  0.662  0.831  0.750  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Cu  Cu10  1  0.831  0.662  0.250  1.0
  Cu  Cu11  1  0.169  0.831  0.750  1.0
[/CIF]
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The crystal structure described by Cu2Cd is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(2) is bonded to six equivalent Cu(1) and six equivalent Cd(1) atoms to form a mixture of corner, edge, and face-sharing CuCd6Cu6 cuboctahedra. In the second Cu site, Cu(1) is bonded to two equivalent Cu(2), four equivalent Cu(1), and six equivalent Cd(1) atoms to form a mixture of corner, edge, and face-sharing CuCd6Cu6 cuboctahedra. Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), nine equivalent Cu(1), and four equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.010
_cell_length_b   5.010
_cell_length_c   7.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   172.090
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.333  0.667  0.439  1.0
  Cd  Cd1  1  0.667  0.333  0.939  1.0
  Cd  Cd2  1  0.667  0.333  0.561  1.0
  Cd  Cd3  1  0.333  0.667  0.061  1.0
  Cu  Cu4  1  0.169  0.338  0.750  1.0
  Cu  Cu5  1  0.831  0.169  0.250  1.0
  Cu  Cu6  1  0.338  0.169  0.250  1.0
  Cu  Cu7  1  0.662  0.831  0.750  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Cu  Cu10  1  0.831  0.662  0.250  1.0
  Cu  Cu11  1  0.169  0.831  0.750  1.0
[/CIF]
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