The material described by Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing CeSb6 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Sb(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Ce(2) and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded to six equivalent Ce(1) atoms to form edge-sharing SbCe6 octahedra. is represented by the CIF file [CIF]
data_Ce3Sb3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.656
_cell_length_b   4.656
_cell_length_c   23.783
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   446.564
_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
  Ce  Ce0  1  0.667  0.333  0.925  1.0
  Ce  Ce1  1  0.333  0.667  0.075  1.0
  Ce  Ce2  1  0.333  0.667  0.425  1.0
  Ce  Ce3  1  0.667  0.333  0.575  1.0
  Ce  Ce4  1  0.333  0.667  0.250  1.0
  Ce  Ce5  1  0.667  0.333  0.750  1.0
  Sb  Sb6  1  0.333  0.667  0.653  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  Sb  Sb8  1  0.667  0.333  0.347  1.0
  Sb  Sb9  1  0.333  0.667  0.847  1.0
  Sb  Sb10  1  0.667  0.333  0.153  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
  Au  Au12  1  0.000  0.000  0.813  1.0
  Au  Au13  1  0.000  0.000  0.187  1.0
  Au  Au14  1  0.000  0.000  0.313  1.0
  Au  Au15  1  0.000  0.000  0.687  1.0
[/CIF]
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The material described by Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form a mixture of distorted edge and corner-sharing CeSb6 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Sb(1) atoms. Au(1) is bonded in a 6-coordinate geometry to three equivalent Ce(2) and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to three equivalent Ce(1), three equivalent Ce(2), and three equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded to six equivalent Ce(1) atoms to form edge-sharing SbCe6 octahedra. is represented by the CIF file [CIF]
data_Ce3Sb3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.656
_cell_length_b   4.656
_cell_length_c   23.783
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   446.564
_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
  Ce  Ce0  1  0.667  0.333  0.925  1.0
  Ce  Ce1  1  0.333  0.667  0.075  1.0
  Ce  Ce2  1  0.333  0.667  0.425  1.0
  Ce  Ce3  1  0.667  0.333  0.575  1.0
  Ce  Ce4  1  0.333  0.667  0.250  1.0
  Ce  Ce5  1  0.667  0.333  0.750  1.0
  Sb  Sb6  1  0.333  0.667  0.653  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  Sb  Sb8  1  0.667  0.333  0.347  1.0
  Sb  Sb9  1  0.333  0.667  0.847  1.0
  Sb  Sb10  1  0.667  0.333  0.153  1.0
  Sb  Sb11  1  0.000  0.000  0.000  1.0
  Au  Au12  1  0.000  0.000  0.813  1.0
  Au  Au13  1  0.000  0.000  0.187  1.0
  Au  Au14  1  0.000  0.000  0.313  1.0
  Au  Au15  1  0.000  0.000  0.687  1.0
[/CIF]
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