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 in a 9-coordinate geometry to three equivalent Ni(1) and six equivalent Cd(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to six equivalent Cd(1) atoms. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ni(2) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.576
_cell_length_b   8.576
_cell_length_c   8.576
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   445.932
_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  0.986  0.514  0.986  1.0
  Cd  Cd1  1  0.736  0.264  0.736  1.0
  Cd  Cd2  1  0.986  0.986  0.514  1.0
  Cd  Cd3  1  0.514  0.986  0.986  1.0
  Cd  Cd4  1  0.986  0.514  0.514  1.0
  Cd  Cd5  1  0.514  0.514  0.986  1.0
  Cd  Cd6  1  0.264  0.264  0.736  1.0
  Cd  Cd7  1  0.736  0.736  0.264  1.0
  Cd  Cd8  1  0.264  0.736  0.264  1.0
  Cd  Cd9  1  0.736  0.264  0.264  1.0
  Cd  Cd10  1  0.264  0.736  0.736  1.0
  Cd  Cd11  1  0.514  0.986  0.514  1.0
  Ni  Ni12  1  0.928  0.928  0.928  1.0
  Ni  Ni13  1  0.035  0.322  0.322  1.0
  Ni  Ni14  1  0.322  0.322  0.035  1.0
  Ni  Ni15  1  0.322  0.035  0.322  1.0
  Ni  Ni16  1  0.928  0.928  0.215  1.0
  Ni  Ni17  1  0.928  0.215  0.928  1.0
  Ni  Ni18  1  0.215  0.928  0.928  1.0
  Ni  Ni19  1  0.322  0.322  0.322  1.0
  Ni  Ni20  1  0.625  0.625  0.125  1.0
  Ni  Ni21  1  0.625  0.125  0.625  1.0
  Ni  Ni22  1  0.125  0.625  0.625  1.0
  Ni  Ni23  1  0.625  0.625  0.625  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 in a 9-coordinate geometry to three equivalent Ni(1) and six equivalent Cd(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to six equivalent Cd(1) atoms. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ni(2) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.576
_cell_length_b   8.576
_cell_length_c   8.576
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   445.932
_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  0.986  0.514  0.986  1.0
  Cd  Cd1  1  0.736  0.264  0.736  1.0
  Cd  Cd2  1  0.986  0.986  0.514  1.0
  Cd  Cd3  1  0.514  0.986  0.986  1.0
  Cd  Cd4  1  0.986  0.514  0.514  1.0
  Cd  Cd5  1  0.514  0.514  0.986  1.0
  Cd  Cd6  1  0.264  0.264  0.736  1.0
  Cd  Cd7  1  0.736  0.736  0.264  1.0
  Cd  Cd8  1  0.264  0.736  0.264  1.0
  Cd  Cd9  1  0.736  0.264  0.264  1.0
  Cd  Cd10  1  0.264  0.736  0.736  1.0
  Cd  Cd11  1  0.514  0.986  0.514  1.0
  Ni  Ni12  1  0.928  0.928  0.928  1.0
  Ni  Ni13  1  0.035  0.322  0.322  1.0
  Ni  Ni14  1  0.322  0.322  0.035  1.0
  Ni  Ni15  1  0.322  0.035  0.322  1.0
  Ni  Ni16  1  0.928  0.928  0.215  1.0
  Ni  Ni17  1  0.928  0.215  0.928  1.0
  Ni  Ni18  1  0.215  0.928  0.928  1.0
  Ni  Ni19  1  0.322  0.322  0.322  1.0
  Ni  Ni20  1  0.625  0.625  0.125  1.0
  Ni  Ni21  1  0.625  0.125  0.625  1.0
  Ni  Ni22  1  0.125  0.625  0.625  1.0
  Ni  Ni23  1  0.625  0.625  0.625  1.0
[/CIF]
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