The material described by Nd3Au3Bi4 crystallizes in the cubic I-43d space group. Nd(1) is bonded in a 12-coordinate geometry to four equivalent Au(1) and eight equivalent Bi(1) atoms. Au(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Bi(1) atoms. Bi(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Nd3Bi4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.901
_cell_length_b   8.901
_cell_length_c   8.901
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   542.891
_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  0.875  0.250  0.125  1.0
  Nd  Nd1  1  0.625  0.750  0.375  1.0
  Nd  Nd2  1  0.250  0.125  0.875  1.0
  Nd  Nd3  1  0.750  0.375  0.625  1.0
  Nd  Nd4  1  0.125  0.875  0.250  1.0
  Nd  Nd5  1  0.375  0.625  0.750  1.0
  Bi  Bi6  1  0.676  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.676  1.0
  Bi  Bi8  1  0.000  0.676  0.500  1.0
  Bi  Bi9  1  0.824  0.824  0.824  1.0
  Bi  Bi10  1  0.500  0.000  0.176  1.0
  Bi  Bi11  1  0.176  0.500  0.000  1.0
  Bi  Bi12  1  0.000  0.176  0.500  1.0
  Bi  Bi13  1  0.324  0.324  0.324  1.0
  Au  Au14  1  0.375  0.250  0.625  1.0
  Au  Au15  1  0.125  0.750  0.875  1.0
  Au  Au16  1  0.250  0.625  0.375  1.0
  Au  Au17  1  0.750  0.875  0.125  1.0
  Au  Au18  1  0.625  0.375  0.250  1.0
  Au  Au19  1  0.875  0.125  0.750  1.0
[/CIF]
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The material described by Nd3Au3Bi4 crystallizes in the cubic I-43d space group. Nd(1) is bonded in a 12-coordinate geometry to four equivalent Au(1) and eight equivalent Bi(1) atoms. Au(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Bi(1) atoms. Bi(1) is bonded in a 9-coordinate geometry to six equivalent Nd(1) and three equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_Nd3Bi4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.901
_cell_length_b   8.901
_cell_length_c   8.901
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   542.891
_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  0.875  0.250  0.125  1.0
  Nd  Nd1  1  0.625  0.750  0.375  1.0
  Nd  Nd2  1  0.250  0.125  0.875  1.0
  Nd  Nd3  1  0.750  0.375  0.625  1.0
  Nd  Nd4  1  0.125  0.875  0.250  1.0
  Nd  Nd5  1  0.375  0.625  0.750  1.0
  Bi  Bi6  1  0.676  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.676  1.0
  Bi  Bi8  1  0.000  0.676  0.500  1.0
  Bi  Bi9  1  0.824  0.824  0.824  1.0
  Bi  Bi10  1  0.500  0.000  0.176  1.0
  Bi  Bi11  1  0.176  0.500  0.000  1.0
  Bi  Bi12  1  0.000  0.176  0.500  1.0
  Bi  Bi13  1  0.324  0.324  0.324  1.0
  Au  Au14  1  0.375  0.250  0.625  1.0
  Au  Au15  1  0.125  0.750  0.875  1.0
  Au  Au16  1  0.250  0.625  0.375  1.0
  Au  Au17  1  0.750  0.875  0.125  1.0
  Au  Au18  1  0.625  0.375  0.250  1.0
  Au  Au19  1  0.875  0.125  0.750  1.0
[/CIF]
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