The compound described by Nd4NiCd crystallizes in the cubic F-43m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and three equivalent Cd(1) atoms. In the second Nd site, Nd(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1) and two equivalent Cd(1) atoms. In the third Nd site, Nd(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 Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms. Cd(1) is bonded to three equivalent Nd(1), three equivalent Nd(2), three equivalent Nd(3), and three equivalent Cd(1) atoms to form a mixture of face and corner-sharing CdNd9Cd3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.824
_cell_length_b   9.824
_cell_length_c   9.824
_cell_angle_alpha   60.002
_cell_angle_beta   60.001
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   670.545
_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
  Nd  Nd0  1  0.598  0.598  0.598  1.0
  Nd  Nd1  1  0.598  0.598  0.206  1.0
  Nd  Nd2  1  0.598  0.206  0.598  1.0
  Nd  Nd3  1  0.206  0.598  0.598  1.0
  Nd  Nd4  1  0.059  0.441  0.441  1.0
  Nd  Nd5  1  0.441  0.059  0.059  1.0
  Nd  Nd6  1  0.441  0.059  0.441  1.0
  Nd  Nd7  1  0.059  0.441  0.059  1.0
  Nd  Nd8  1  0.441  0.441  0.059  1.0
  Nd  Nd9  1  0.059  0.059  0.441  1.0
  Nd  Nd10  1  0.187  0.813  0.813  1.0
  Nd  Nd11  1  0.813  0.187  0.187  1.0
  Nd  Nd12  1  0.813  0.187  0.813  1.0
  Nd  Nd13  1  0.187  0.813  0.187  1.0
  Nd  Nd14  1  0.813  0.813  0.187  1.0
  Nd  Nd15  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  0.392  0.392  0.392  1.0
  Ni  Ni21  1  0.392  0.392  0.823  1.0
  Ni  Ni22  1  0.392  0.823  0.392  1.0
  Ni  Ni23  1  0.823  0.392  0.392  1.0
[/CIF]
.
The compound described by Nd4NiCd crystallizes in the cubic F-43m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and three equivalent Cd(1) atoms. In the second Nd site, Nd(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1) and two equivalent Cd(1) atoms. In the third Nd site, Nd(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 Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms. Cd(1) is bonded to three equivalent Nd(1), three equivalent Nd(2), three equivalent Nd(3), and three equivalent Cd(1) atoms to form a mixture of face and corner-sharing CdNd9Cd3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.824
_cell_length_b   9.824
_cell_length_c   9.824
_cell_angle_alpha   60.002
_cell_angle_beta   60.001
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   670.545
_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
  Nd  Nd0  1  0.598  0.598  0.598  1.0
  Nd  Nd1  1  0.598  0.598  0.206  1.0
  Nd  Nd2  1  0.598  0.206  0.598  1.0
  Nd  Nd3  1  0.206  0.598  0.598  1.0
  Nd  Nd4  1  0.059  0.441  0.441  1.0
  Nd  Nd5  1  0.441  0.059  0.059  1.0
  Nd  Nd6  1  0.441  0.059  0.441  1.0
  Nd  Nd7  1  0.059  0.441  0.059  1.0
  Nd  Nd8  1  0.441  0.441  0.059  1.0
  Nd  Nd9  1  0.059  0.059  0.441  1.0
  Nd  Nd10  1  0.187  0.813  0.813  1.0
  Nd  Nd11  1  0.813  0.187  0.187  1.0
  Nd  Nd12  1  0.813  0.187  0.813  1.0
  Nd  Nd13  1  0.187  0.813  0.187  1.0
  Nd  Nd14  1  0.813  0.813  0.187  1.0
  Nd  Nd15  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  0.392  0.392  0.392  1.0
  Ni  Ni21  1  0.392  0.392  0.823  1.0
  Ni  Ni22  1  0.392  0.823  0.392  1.0
  Ni  Ni23  1  0.823  0.392  0.392  1.0
[/CIF]
.