The material described by Cu2Cd is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Cu(2); four equivalent Cu(1); two Cd(2,2); and four Cd(1,1) atoms to form a mixture of corner, face, and edge-sharing CuCd6Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cd(1), and three equivalent Cd(2) atoms to form a mixture of corner, face, and edge-sharing CuCd6Cu6 cuboctahedra. In the third Cu site, Cu(3) is bonded to two equivalent Cu(2); four equivalent Cu(3); two Cd(1,1); and four Cd(2,2) atoms to form a mixture of corner, face, and edge-sharing CuCd6Cu6 cuboctahedra. There are eight inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. In the second Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the third Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. In the fourth Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the fifth Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the sixth Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the seventh Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. In the eighth Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.002
_cell_length_b   5.002
_cell_length_c   15.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   344.538
_cell_formula_units_Z   8
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  0.844  1.0
  Cd  Cd1  1  0.000  0.000  0.594  1.0
  Cd  Cd2  1  0.667  0.333  0.156  1.0
  Cd  Cd3  1  0.000  0.000  0.406  1.0
  Cd  Cd4  1  0.000  0.000  0.906  1.0
  Cd  Cd5  1  0.000  0.000  0.094  1.0
  Cd  Cd6  1  0.333  0.667  0.656  1.0
  Cd  Cd7  1  0.667  0.333  0.344  1.0
  Cu  Cu8  1  0.835  0.671  0.750  1.0
  Cu  Cu9  1  0.165  0.329  0.250  1.0
  Cu  Cu10  1  0.165  0.835  0.250  1.0
  Cu  Cu11  1  0.667  0.333  0.875  1.0
  Cu  Cu12  1  0.500  0.000  0.500  1.0
  Cu  Cu13  1  0.667  0.333  0.625  1.0
  Cu  Cu14  1  0.329  0.165  0.750  1.0
  Cu  Cu15  1  0.000  0.500  0.500  1.0
  Cu  Cu16  1  0.500  0.500  0.500  1.0
  Cu  Cu17  1  0.835  0.165  0.750  1.0
  Cu  Cu18  1  0.333  0.667  0.375  1.0
  Cu  Cu19  1  0.671  0.835  0.250  1.0
  Cu  Cu20  1  0.000  0.500  0.000  1.0
  Cu  Cu21  1  0.500  0.500  0.000  1.0
  Cu  Cu22  1  0.333  0.667  0.125  1.0
  Cu  Cu23  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Cu2Cd is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Cu(2); four equivalent Cu(1); two Cd(2,2); and four Cd(1,1) atoms to form a mixture of corner, face, and edge-sharing CuCd6Cu6 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cd(1), and three equivalent Cd(2) atoms to form a mixture of corner, face, and edge-sharing CuCd6Cu6 cuboctahedra. In the third Cu site, Cu(3) is bonded to two equivalent Cu(2); four equivalent Cu(3); two Cd(1,1); and four Cd(2,2) atoms to form a mixture of corner, face, and edge-sharing CuCd6Cu6 cuboctahedra. There are eight inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. In the second Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the third Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. In the fourth Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the fifth Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the sixth Cd site, Cd(2) is bonded in a 16-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), six equivalent Cu(3), one Cd(2), and three equivalent Cd(1) atoms. In the seventh Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. In the eighth Cd site, Cd(1) is bonded in a 16-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), six equivalent Cu(1), one Cd(1), and three equivalent Cd(2) atoms. is represented by the CIF card [CIF]
data_CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.002
_cell_length_b   5.002
_cell_length_c   15.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   344.538
_cell_formula_units_Z   8
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  0.844  1.0
  Cd  Cd1  1  0.000  0.000  0.594  1.0
  Cd  Cd2  1  0.667  0.333  0.156  1.0
  Cd  Cd3  1  0.000  0.000  0.406  1.0
  Cd  Cd4  1  0.000  0.000  0.906  1.0
  Cd  Cd5  1  0.000  0.000  0.094  1.0
  Cd  Cd6  1  0.333  0.667  0.656  1.0
  Cd  Cd7  1  0.667  0.333  0.344  1.0
  Cu  Cu8  1  0.835  0.671  0.750  1.0
  Cu  Cu9  1  0.165  0.329  0.250  1.0
  Cu  Cu10  1  0.165  0.835  0.250  1.0
  Cu  Cu11  1  0.667  0.333  0.875  1.0
  Cu  Cu12  1  0.500  0.000  0.500  1.0
  Cu  Cu13  1  0.667  0.333  0.625  1.0
  Cu  Cu14  1  0.329  0.165  0.750  1.0
  Cu  Cu15  1  0.000  0.500  0.500  1.0
  Cu  Cu16  1  0.500  0.500  0.500  1.0
  Cu  Cu17  1  0.835  0.165  0.750  1.0
  Cu  Cu18  1  0.333  0.667  0.375  1.0
  Cu  Cu19  1  0.671  0.835  0.250  1.0
  Cu  Cu20  1  0.000  0.500  0.000  1.0
  Cu  Cu21  1  0.500  0.500  0.000  1.0
  Cu  Cu22  1  0.333  0.667  0.125  1.0
  Cu  Cu23  1  0.500  0.000  0.000  1.0
[/CIF]
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