The compound described by Ce4NiCd crystallizes in the cubic F-43m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and three equivalent Cd(1) atoms. In the second Ce site, Ce(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1) and two equivalent Cd(1) atoms. In the third Ce site, Ce(3) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Cd(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Ce(3) atoms. Cd(1) is bonded to three equivalent Ce(1), three equivalent Ce(2), three equivalent Ce(3), and three equivalent Cd(1) atoms to form a mixture of distorted face and corner-sharing CdCe9Cd3 cuboctahedra. is represented by the CIF card [CIF]
data_Ce4CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.637
_cell_length_b   9.637
_cell_length_c   9.637
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   632.789
_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
  Ce  Ce0  1  0.599  0.599  0.599  1.0
  Ce  Ce1  1  0.599  0.599  0.203  1.0
  Ce  Ce2  1  0.599  0.203  0.599  1.0
  Ce  Ce3  1  0.203  0.599  0.599  1.0
  Ce  Ce4  1  0.057  0.443  0.443  1.0
  Ce  Ce5  1  0.443  0.057  0.057  1.0
  Ce  Ce6  1  0.443  0.057  0.443  1.0
  Ce  Ce7  1  0.057  0.443  0.057  1.0
  Ce  Ce8  1  0.443  0.443  0.057  1.0
  Ce  Ce9  1  0.057  0.057  0.443  1.0
  Ce  Ce10  1  0.187  0.813  0.813  1.0
  Ce  Ce11  1  0.813  0.187  0.187  1.0
  Ce  Ce12  1  0.813  0.187  0.813  1.0
  Ce  Ce13  1  0.187  0.813  0.187  1.0
  Ce  Ce14  1  0.813  0.813  0.187  1.0
  Ce  Ce15  1  0.187  0.187  0.813  1.0
  Cd  Cd16  1  0.829  0.829  0.829  1.0
  Cd  Cd17  1  0.829  0.829  0.512  1.0
  Cd  Cd18  1  0.829  0.512  0.829  1.0
  Cd  Cd19  1  0.512  0.829  0.829  1.0
  Ni  Ni20  1  0.391  0.391  0.391  1.0
  Ni  Ni21  1  0.391  0.391  0.827  1.0
  Ni  Ni22  1  0.391  0.827  0.391  1.0
  Ni  Ni23  1  0.827  0.391  0.391  1.0
[/CIF]
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The compound described by Ce4NiCd crystallizes in the cubic F-43m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and three equivalent Cd(1) atoms. In the second Ce site, Ce(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1) and two equivalent Cd(1) atoms. In the third Ce site, Ce(3) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Cd(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Ce(3) atoms. Cd(1) is bonded to three equivalent Ce(1), three equivalent Ce(2), three equivalent Ce(3), and three equivalent Cd(1) atoms to form a mixture of distorted face and corner-sharing CdCe9Cd3 cuboctahedra. is represented by the CIF card [CIF]
data_Ce4CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.637
_cell_length_b   9.637
_cell_length_c   9.637
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   632.789
_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
  Ce  Ce0  1  0.599  0.599  0.599  1.0
  Ce  Ce1  1  0.599  0.599  0.203  1.0
  Ce  Ce2  1  0.599  0.203  0.599  1.0
  Ce  Ce3  1  0.203  0.599  0.599  1.0
  Ce  Ce4  1  0.057  0.443  0.443  1.0
  Ce  Ce5  1  0.443  0.057  0.057  1.0
  Ce  Ce6  1  0.443  0.057  0.443  1.0
  Ce  Ce7  1  0.057  0.443  0.057  1.0
  Ce  Ce8  1  0.443  0.443  0.057  1.0
  Ce  Ce9  1  0.057  0.057  0.443  1.0
  Ce  Ce10  1  0.187  0.813  0.813  1.0
  Ce  Ce11  1  0.813  0.187  0.187  1.0
  Ce  Ce12  1  0.813  0.187  0.813  1.0
  Ce  Ce13  1  0.187  0.813  0.187  1.0
  Ce  Ce14  1  0.813  0.813  0.187  1.0
  Ce  Ce15  1  0.187  0.187  0.813  1.0
  Cd  Cd16  1  0.829  0.829  0.829  1.0
  Cd  Cd17  1  0.829  0.829  0.512  1.0
  Cd  Cd18  1  0.829  0.512  0.829  1.0
  Cd  Cd19  1  0.512  0.829  0.829  1.0
  Ni  Ni20  1  0.391  0.391  0.391  1.0
  Ni  Ni21  1  0.391  0.391  0.827  1.0
  Ni  Ni22  1  0.391  0.827  0.391  1.0
  Ni  Ni23  1  0.827  0.391  0.391  1.0
[/CIF]
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