The material structure described by NiCd crystallizes in the cubic Fd-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(1), three equivalent Ni(2), and six equivalent Cd(1) atoms to form a mixture of distorted corner and face-sharing NiCd6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Cd(1) atoms to form a mixture of corner and face-sharing NiCd6Ni6 cuboctahedra. Cd(1) is bonded in a 14-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and eight equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.041
_cell_length_b   8.041
_cell_length_c   8.041
_cell_angle_alpha   60.002
_cell_angle_beta   60.002
_cell_angle_gamma   60.003
_symmetry_Int_Tables_number   1
_cell_volume   367.652
_cell_formula_units_Z   12
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  0.823  0.427  0.427  1.0
  Cd  Cd1  1  0.427  0.823  0.823  1.0
  Cd  Cd2  1  0.427  0.823  0.427  1.0
  Cd  Cd3  1  0.427  0.427  0.823  1.0
  Cd  Cd4  1  0.823  0.427  0.823  1.0
  Cd  Cd5  1  0.823  0.823  0.427  1.0
  Cd  Cd6  1  0.573  0.177  0.573  1.0
  Cd  Cd7  1  0.177  0.573  0.177  1.0
  Cd  Cd8  1  0.177  0.573  0.573  1.0
  Cd  Cd9  1  0.573  0.573  0.177  1.0
  Cd  Cd10  1  0.573  0.177  0.177  1.0
  Cd  Cd11  1  0.177  0.177  0.573  1.0
  Ni  Ni12  1  0.202  0.202  0.202  1.0
  Ni  Ni13  1  0.202  0.202  0.895  1.0
  Ni  Ni14  1  0.895  0.202  0.202  1.0
  Ni  Ni15  1  0.202  0.895  0.202  1.0
  Ni  Ni16  1  0.798  0.798  0.798  1.0
  Ni  Ni17  1  0.798  0.798  0.105  1.0
  Ni  Ni18  1  0.798  0.105  0.798  1.0
  Ni  Ni19  1  0.105  0.798  0.798  1.0
  Ni  Ni20  1  0.000  0.000  0.000  1.0
  Ni  Ni21  1  0.000  0.000  0.500  1.0
  Ni  Ni22  1  0.500  0.000  0.000  1.0
  Ni  Ni23  1  0.000  0.500  0.000  1.0
[/CIF]
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The material structure described by NiCd crystallizes in the cubic Fd-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(1), three equivalent Ni(2), and six equivalent Cd(1) atoms to form a mixture of distorted corner and face-sharing NiCd6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Cd(1) atoms to form a mixture of corner and face-sharing NiCd6Ni6 cuboctahedra. Cd(1) is bonded in a 14-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and eight equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.041
_cell_length_b   8.041
_cell_length_c   8.041
_cell_angle_alpha   60.002
_cell_angle_beta   60.002
_cell_angle_gamma   60.003
_symmetry_Int_Tables_number   1
_cell_volume   367.652
_cell_formula_units_Z   12
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  0.823  0.427  0.427  1.0
  Cd  Cd1  1  0.427  0.823  0.823  1.0
  Cd  Cd2  1  0.427  0.823  0.427  1.0
  Cd  Cd3  1  0.427  0.427  0.823  1.0
  Cd  Cd4  1  0.823  0.427  0.823  1.0
  Cd  Cd5  1  0.823  0.823  0.427  1.0
  Cd  Cd6  1  0.573  0.177  0.573  1.0
  Cd  Cd7  1  0.177  0.573  0.177  1.0
  Cd  Cd8  1  0.177  0.573  0.573  1.0
  Cd  Cd9  1  0.573  0.573  0.177  1.0
  Cd  Cd10  1  0.573  0.177  0.177  1.0
  Cd  Cd11  1  0.177  0.177  0.573  1.0
  Ni  Ni12  1  0.202  0.202  0.202  1.0
  Ni  Ni13  1  0.202  0.202  0.895  1.0
  Ni  Ni14  1  0.895  0.202  0.202  1.0
  Ni  Ni15  1  0.202  0.895  0.202  1.0
  Ni  Ni16  1  0.798  0.798  0.798  1.0
  Ni  Ni17  1  0.798  0.798  0.105  1.0
  Ni  Ni18  1  0.798  0.105  0.798  1.0
  Ni  Ni19  1  0.105  0.798  0.798  1.0
  Ni  Ni20  1  0.000  0.000  0.000  1.0
  Ni  Ni21  1  0.000  0.000  0.500  1.0
  Ni  Ni22  1  0.500  0.000  0.000  1.0
  Ni  Ni23  1  0.000  0.500  0.000  1.0
[/CIF]
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