The structure described by Ba4Bi3 crystallizes in the cubic I-43d space group. Ba(1) is bonded to six equivalent Bi(1) atoms to form a mixture of distorted edge, face, and corner-sharing BaBi6 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. Bi(1) is bonded to eight equivalent Ba(1) atoms to form a mixture of distorted edge, face, and corner-sharing BiBa8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.289
_cell_length_b   9.289
_cell_length_c   9.289
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   616.982
_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  0.644  0.644  0.644  1.0
  Ba  Ba1  1  0.356  0.500  0.000  1.0
  Ba  Ba2  1  0.500  0.000  0.356  1.0
  Ba  Ba3  1  0.000  0.356  0.500  1.0
  Ba  Ba4  1  0.500  0.000  0.856  1.0
  Ba  Ba5  1  0.000  0.856  0.500  1.0
  Ba  Ba6  1  0.144  0.144  0.144  1.0
  Ba  Ba7  1  0.856  0.500  0.000  1.0
  Bi  Bi8  1  0.750  0.875  0.125  1.0
  Bi  Bi9  1  0.625  0.375  0.250  1.0
  Bi  Bi10  1  0.875  0.125  0.750  1.0
  Bi  Bi11  1  0.125  0.750  0.875  1.0
  Bi  Bi12  1  0.375  0.250  0.625  1.0
  Bi  Bi13  1  0.250  0.625  0.375  1.0
[/CIF]
.
The structure described by Ba4Bi3 crystallizes in the cubic I-43d space group. Ba(1) is bonded to six equivalent Bi(1) atoms to form a mixture of distorted edge, face, and corner-sharing BaBi6 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. Bi(1) is bonded to eight equivalent Ba(1) atoms to form a mixture of distorted edge, face, and corner-sharing BiBa8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.289
_cell_length_b   9.289
_cell_length_c   9.289
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   616.982
_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  0.644  0.644  0.644  1.0
  Ba  Ba1  1  0.356  0.500  0.000  1.0
  Ba  Ba2  1  0.500  0.000  0.356  1.0
  Ba  Ba3  1  0.000  0.356  0.500  1.0
  Ba  Ba4  1  0.500  0.000  0.856  1.0
  Ba  Ba5  1  0.000  0.856  0.500  1.0
  Ba  Ba6  1  0.144  0.144  0.144  1.0
  Ba  Ba7  1  0.856  0.500  0.000  1.0
  Bi  Bi8  1  0.750  0.875  0.125  1.0
  Bi  Bi9  1  0.625  0.375  0.250  1.0
  Bi  Bi10  1  0.875  0.125  0.750  1.0
  Bi  Bi11  1  0.125  0.750  0.875  1.0
  Bi  Bi12  1  0.375  0.250  0.625  1.0
  Bi  Bi13  1  0.250  0.625  0.375  1.0
[/CIF]
.