The material described by Nd3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded to eight equivalent Nd(1) and four equivalent Cd(1) atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with four equivalent Cd(1)Nd12 cuboctahedra, corners with fourteen equivalent Nd(1)Nd8Cd4 cuboctahedra, edges with six equivalent Cd(1)Nd12 cuboctahedra, edges with twelve equivalent Nd(1)Nd8Cd4 cuboctahedra, faces with four equivalent Cd(1)Nd12 cuboctahedra, and faces with sixteen equivalent Nd(1)Nd8Cd4 cuboctahedra. Cd(1) is bonded to twelve equivalent Nd(1) atoms to form CdNd12 cuboctahedra that share corners with six equivalent Cd(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(1)Nd8Cd4 cuboctahedra, edges with eighteen equivalent Nd(1)Nd8Cd4 cuboctahedra, faces with eight equivalent Cd(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(1)Nd8Cd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.162
_cell_length_b   7.162
_cell_length_c   5.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   249.530
_cell_formula_units_Z   2
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  0.174  0.348  0.250  1.0
  Nd  Nd1  1  0.652  0.826  0.250  1.0
  Nd  Nd2  1  0.174  0.826  0.250  1.0
  Nd  Nd3  1  0.826  0.652  0.750  1.0
  Nd  Nd4  1  0.348  0.174  0.750  1.0
  Nd  Nd5  1  0.826  0.174  0.750  1.0
  Cd  Cd6  1  0.333  0.667  0.750  1.0
  Cd  Cd7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Nd3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded to eight equivalent Nd(1) and four equivalent Cd(1) atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with four equivalent Cd(1)Nd12 cuboctahedra, corners with fourteen equivalent Nd(1)Nd8Cd4 cuboctahedra, edges with six equivalent Cd(1)Nd12 cuboctahedra, edges with twelve equivalent Nd(1)Nd8Cd4 cuboctahedra, faces with four equivalent Cd(1)Nd12 cuboctahedra, and faces with sixteen equivalent Nd(1)Nd8Cd4 cuboctahedra. Cd(1) is bonded to twelve equivalent Nd(1) atoms to form CdNd12 cuboctahedra that share corners with six equivalent Cd(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(1)Nd8Cd4 cuboctahedra, edges with eighteen equivalent Nd(1)Nd8Cd4 cuboctahedra, faces with eight equivalent Cd(1)Nd12 cuboctahedra, and faces with twelve equivalent Nd(1)Nd8Cd4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.162
_cell_length_b   7.162
_cell_length_c   5.617
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   249.530
_cell_formula_units_Z   2
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  0.174  0.348  0.250  1.0
  Nd  Nd1  1  0.652  0.826  0.250  1.0
  Nd  Nd2  1  0.174  0.826  0.250  1.0
  Nd  Nd3  1  0.826  0.652  0.750  1.0
  Nd  Nd4  1  0.348  0.174  0.750  1.0
  Nd  Nd5  1  0.826  0.174  0.750  1.0
  Cd  Cd6  1  0.333  0.667  0.750  1.0
  Cd  Cd7  1  0.667  0.333  0.250  1.0
[/CIF]
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