The structure described by BaAuSb crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a 11-coordinate geometry to six equivalent Au(1) and five equivalent Sb(1) atoms. Au(1) is bonded to six equivalent Ba(1) atoms to form distorted AuBa6 octahedra that share corners with twelve equivalent Au(1)Ba6 octahedra, corners with twelve equivalent Sb(1)Ba5 trigonal bipyramids, edges with six equivalent Au(1)Ba6 octahedra, faces with two equivalent Au(1)Ba6 octahedra, and faces with six equivalent Sb(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. Sb(1) is bonded to five equivalent Ba(1) atoms to form SbBa5 trigonal bipyramids that share corners with twelve equivalent Au(1)Ba6 octahedra, corners with eight equivalent Sb(1)Ba5 trigonal bipyramids, edges with six equivalent Sb(1)Ba5 trigonal bipyramids, and faces with six equivalent Au(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 28-62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   6.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   193.327
_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
  Ba  Ba0  1  0.333  0.667  0.250  1.0
  Ba  Ba1  1  0.667  0.333  0.750  1.0
  Sb  Sb2  1  0.667  0.333  0.250  1.0
  Sb  Sb3  1  0.333  0.667  0.750  1.0
  Au  Au4  1  0.000  0.000  0.500  1.0
  Au  Au5  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by BaAuSb crystallizes in the hexagonal P6_3/mmc space group. Ba(1) is bonded in a 11-coordinate geometry to six equivalent Au(1) and five equivalent Sb(1) atoms. Au(1) is bonded to six equivalent Ba(1) atoms to form distorted AuBa6 octahedra that share corners with twelve equivalent Au(1)Ba6 octahedra, corners with twelve equivalent Sb(1)Ba5 trigonal bipyramids, edges with six equivalent Au(1)Ba6 octahedra, faces with two equivalent Au(1)Ba6 octahedra, and faces with six equivalent Sb(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. Sb(1) is bonded to five equivalent Ba(1) atoms to form SbBa5 trigonal bipyramids that share corners with twelve equivalent Au(1)Ba6 octahedra, corners with eight equivalent Sb(1)Ba5 trigonal bipyramids, edges with six equivalent Sb(1)Ba5 trigonal bipyramids, and faces with six equivalent Au(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 28-62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   6.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   193.327
_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
  Ba  Ba0  1  0.333  0.667  0.250  1.0
  Ba  Ba1  1  0.667  0.333  0.750  1.0
  Sb  Sb2  1  0.667  0.333  0.250  1.0
  Sb  Sb3  1  0.333  0.667  0.750  1.0
  Au  Au4  1  0.000  0.000  0.500  1.0
  Au  Au5  1  0.000  0.000  0.000  1.0
[/CIF]
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