The material structure described by Nd3Au4 crystallizes in the trigonal R-3 space group. Nd(1) is bonded in a 9-coordinate geometry to one Au(2), one Au(3), and seven equivalent Au(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent Nd(1) atoms to form distorted face-sharing AuNd6 octahedra. In the second Au site, Au(1) is bonded in a 7-coordinate geometry to seven equivalent Nd(1) atoms. In the third Au site, Au(3) is bonded to six equivalent Nd(1) atoms to form distorted face-sharing AuNd6 octahedra. is represented by the CIF card [CIF]
data_Nd3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.257
_cell_length_b   8.257
_cell_length_c   8.257
_cell_angle_alpha   114.045
_cell_angle_beta   114.045
_cell_angle_gamma   114.045
_symmetry_Int_Tables_number   1
_cell_volume   340.919
_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  0.273  0.400  0.017  1.0
  Nd  Nd1  1  0.017  0.273  0.400  1.0
  Nd  Nd2  1  0.400  0.017  0.273  1.0
  Nd  Nd3  1  0.727  0.600  0.983  1.0
  Nd  Nd4  1  0.983  0.727  0.600  1.0
  Nd  Nd5  1  0.600  0.983  0.727  1.0
  Au  Au6  1  0.437  0.769  0.930  1.0
  Au  Au7  1  0.930  0.437  0.769  1.0
  Au  Au8  1  0.769  0.930  0.437  1.0
  Au  Au9  1  0.563  0.231  0.070  1.0
  Au  Au10  1  0.070  0.563  0.231  1.0
  Au  Au11  1  0.231  0.070  0.563  1.0
  Au  Au12  1  0.500  0.500  0.500  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Nd3Au4 crystallizes in the trigonal R-3 space group. Nd(1) is bonded in a 9-coordinate geometry to one Au(2), one Au(3), and seven equivalent Au(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent Nd(1) atoms to form distorted face-sharing AuNd6 octahedra. In the second Au site, Au(1) is bonded in a 7-coordinate geometry to seven equivalent Nd(1) atoms. In the third Au site, Au(3) is bonded to six equivalent Nd(1) atoms to form distorted face-sharing AuNd6 octahedra. is represented by the CIF card [CIF]
data_Nd3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.257
_cell_length_b   8.257
_cell_length_c   8.257
_cell_angle_alpha   114.045
_cell_angle_beta   114.045
_cell_angle_gamma   114.045
_symmetry_Int_Tables_number   1
_cell_volume   340.919
_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  0.273  0.400  0.017  1.0
  Nd  Nd1  1  0.017  0.273  0.400  1.0
  Nd  Nd2  1  0.400  0.017  0.273  1.0
  Nd  Nd3  1  0.727  0.600  0.983  1.0
  Nd  Nd4  1  0.983  0.727  0.600  1.0
  Nd  Nd5  1  0.600  0.983  0.727  1.0
  Au  Au6  1  0.437  0.769  0.930  1.0
  Au  Au7  1  0.930  0.437  0.769  1.0
  Au  Au8  1  0.769  0.930  0.437  1.0
  Au  Au9  1  0.563  0.231  0.070  1.0
  Au  Au10  1  0.070  0.563  0.231  1.0
  Au  Au11  1  0.231  0.070  0.563  1.0
  Au  Au12  1  0.500  0.500  0.500  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
[/CIF]
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