The crystal structure described by NdAuSb crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Sb(1) atoms to form distorted edge-sharing NdSb6 octahedra. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2) and three equivalent Sb(1) atoms. Sb(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1) and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.620
_cell_length_b   4.620
_cell_length_c   16.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   311.546
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.000  0.000  0.250  1.0
  Nd  Nd3  1  0.000  0.000  0.750  1.0
  Sb  Sb4  1  0.333  0.667  0.390  1.0
  Sb  Sb5  1  0.667  0.333  0.610  1.0
  Sb  Sb6  1  0.667  0.333  0.890  1.0
  Sb  Sb7  1  0.333  0.667  0.110  1.0
  Au  Au8  1  0.667  0.333  0.338  1.0
  Au  Au9  1  0.333  0.667  0.662  1.0
  Au  Au10  1  0.333  0.667  0.838  1.0
  Au  Au11  1  0.667  0.333  0.162  1.0
[/CIF]
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The crystal structure described by NdAuSb crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to six equivalent Sb(1) atoms to form distorted edge-sharing NdSb6 octahedra. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Nd(2) and three equivalent Sb(1) atoms. Sb(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1) and three equivalent Au(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.620
_cell_length_b   4.620
_cell_length_c   16.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   311.546
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Nd  Nd1  1  0.000  0.000  0.000  1.0
  Nd  Nd2  1  0.000  0.000  0.250  1.0
  Nd  Nd3  1  0.000  0.000  0.750  1.0
  Sb  Sb4  1  0.333  0.667  0.390  1.0
  Sb  Sb5  1  0.667  0.333  0.610  1.0
  Sb  Sb6  1  0.667  0.333  0.890  1.0
  Sb  Sb7  1  0.333  0.667  0.110  1.0
  Au  Au8  1  0.667  0.333  0.338  1.0
  Au  Au9  1  0.333  0.667  0.662  1.0
  Au  Au10  1  0.333  0.667  0.838  1.0
  Au  Au11  1  0.667  0.333  0.162  1.0
[/CIF]
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