The material described by Nd3Pd crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Pd(1) atoms to form distorted NdNd8Pd4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Pd4 cuboctahedra, edges with eight equivalent Nd(1)Nd8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Nd12 cuboctahedra, faces with four equivalent Pd(1)Nd12 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Pd4 cuboctahedra. In the second Nd site, Nd(2) is bonded in a square co-planar geometry to eight equivalent Nd(1) and four equivalent Pd(1) atoms. Pd(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form PdNd12 cuboctahedra that share corners with four equivalent Pd(1)Nd12 cuboctahedra, edges with eight equivalent Pd(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Pd4 cuboctahedra, faces with four equivalent Pd(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Nd3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   6.376
_cell_length_c   6.376
_cell_angle_alpha   138.242
_cell_angle_beta   138.242
_cell_angle_gamma   60.532
_symmetry_Int_Tables_number   1
_cell_volume   113.751
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Nd3Pd crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Pd(1) atoms to form distorted NdNd8Pd4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Pd4 cuboctahedra, edges with eight equivalent Nd(1)Nd8Pd4 cuboctahedra, edges with eight equivalent Pd(1)Nd12 cuboctahedra, faces with four equivalent Pd(1)Nd12 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Pd4 cuboctahedra. In the second Nd site, Nd(2) is bonded in a square co-planar geometry to eight equivalent Nd(1) and four equivalent Pd(1) atoms. Pd(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form PdNd12 cuboctahedra that share corners with four equivalent Pd(1)Nd12 cuboctahedra, edges with eight equivalent Pd(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Pd4 cuboctahedra, faces with four equivalent Pd(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Pd4 cuboctahedra. is represented by the CIF card [CIF]
data_Nd3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.376
_cell_length_b   6.376
_cell_length_c   6.376
_cell_angle_alpha   138.242
_cell_angle_beta   138.242
_cell_angle_gamma   60.532
_symmetry_Int_Tables_number   1
_cell_volume   113.751
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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