The material described by NdCu4Pd crystallizes in the trigonal R3m space group. Nd(1) is bonded in a 16-coordinate geometry to three equivalent Pd(1), four equivalent Cu(2), and nine equivalent Cu(1) atoms. Pd(1) is bonded to three equivalent Nd(1), three equivalent Cu(2), and six equivalent Cu(1) atoms to form a mixture of corner and edge-sharing PdNd3Cu9 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Nd(1), two equivalent Pd(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the second Cu site, Cu(2) is bonded in a 13-coordinate geometry to four equivalent Nd(1), three equivalent Pd(1), and six equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_NdCu4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   5.231
_cell_angle_alpha   56.594
_cell_angle_beta   56.594
_cell_angle_gamma   56.594
_symmetry_Int_Tables_number   1
_cell_volume   93.263
_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  1.000  1.000  1.000  1.0
  Cu  Cu1  1  0.632  0.133  0.632  1.0
  Cu  Cu2  1  0.133  0.632  0.632  1.0
  Cu  Cu3  1  0.632  0.632  0.133  1.0
  Cu  Cu4  1  0.225  0.225  0.225  1.0
  Pd  Pd5  1  0.629  0.629  0.629  1.0
[/CIF]
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The material described by NdCu4Pd crystallizes in the trigonal R3m space group. Nd(1) is bonded in a 16-coordinate geometry to three equivalent Pd(1), four equivalent Cu(2), and nine equivalent Cu(1) atoms. Pd(1) is bonded to three equivalent Nd(1), three equivalent Cu(2), and six equivalent Cu(1) atoms to form a mixture of corner and edge-sharing PdNd3Cu9 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to three equivalent Nd(1), two equivalent Pd(1), two equivalent Cu(2), and four equivalent Cu(1) atoms. In the second Cu site, Cu(2) is bonded in a 13-coordinate geometry to four equivalent Nd(1), three equivalent Pd(1), and six equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_NdCu4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   5.231
_cell_angle_alpha   56.594
_cell_angle_beta   56.594
_cell_angle_gamma   56.594
_symmetry_Int_Tables_number   1
_cell_volume   93.263
_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  1.000  1.000  1.000  1.0
  Cu  Cu1  1  0.632  0.133  0.632  1.0
  Cu  Cu2  1  0.133  0.632  0.632  1.0
  Cu  Cu3  1  0.632  0.632  0.133  1.0
  Cu  Cu4  1  0.225  0.225  0.225  1.0
  Pd  Pd5  1  0.629  0.629  0.629  1.0
[/CIF]
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