The material described by Bi2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.614
_cell_length_b   9.614
_cell_length_c   9.614
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   683.970
_cell_formula_units_Z   8
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
  Bi  Bi0  1  0.500  0.000  0.500  1.0
  Bi  Bi1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.000  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.777  0.250  0.027  1.0
  Bi  Bi5  1  0.723  0.750  0.473  1.0
  Bi  Bi6  1  0.250  0.027  0.777  1.0
  Bi  Bi7  1  0.750  0.473  0.723  1.0
  Bi  Bi8  1  0.027  0.777  0.250  1.0
  Bi  Bi9  1  0.473  0.723  0.750  1.0
  Bi  Bi10  1  0.223  0.750  0.973  1.0
  Bi  Bi11  1  0.277  0.250  0.527  1.0
  Bi  Bi12  1  0.750  0.973  0.223  1.0
  Bi  Bi13  1  0.250  0.527  0.277  1.0
  Bi  Bi14  1  0.973  0.223  0.750  1.0
  Bi  Bi15  1  0.527  0.277  0.250  1.0
  O  O16  1  0.033  0.051  0.275  1.0
  O  O17  1  0.223  0.449  0.481  1.0
  O  O18  1  0.467  0.742  0.019  1.0
  O  O19  1  0.277  0.758  0.225  1.0
  O  O20  1  0.051  0.275  0.033  1.0
  O  O21  1  0.449  0.481  0.223  1.0
  O  O22  1  0.742  0.019  0.467  1.0
  O  O23  1  0.758  0.225  0.277  1.0
  O  O24  1  0.275  0.033  0.051  1.0
  O  O25  1  0.481  0.223  0.449  1.0
  O  O26  1  0.019  0.467  0.742  1.0
  O  O27  1  0.225  0.277  0.758  1.0
  O  O28  1  0.967  0.949  0.725  1.0
  O  O29  1  0.777  0.551  0.519  1.0
  O  O30  1  0.533  0.258  0.981  1.0
  O  O31  1  0.723  0.242  0.775  1.0
  O  O32  1  0.949  0.725  0.967  1.0
  O  O33  1  0.551  0.519  0.777  1.0
  O  O34  1  0.258  0.981  0.533  1.0
  O  O35  1  0.242  0.775  0.723  1.0
  O  O36  1  0.725  0.967  0.949  1.0
  O  O37  1  0.519  0.777  0.551  1.0
  O  O38  1  0.981  0.533  0.258  1.0
  O  O39  1  0.775  0.723  0.242  1.0
[/CIF]
.
The material described by Bi2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.614
_cell_length_b   9.614
_cell_length_c   9.614
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   683.970
_cell_formula_units_Z   8
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
  Bi  Bi0  1  0.500  0.000  0.500  1.0
  Bi  Bi1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.000  0.500  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.777  0.250  0.027  1.0
  Bi  Bi5  1  0.723  0.750  0.473  1.0
  Bi  Bi6  1  0.250  0.027  0.777  1.0
  Bi  Bi7  1  0.750  0.473  0.723  1.0
  Bi  Bi8  1  0.027  0.777  0.250  1.0
  Bi  Bi9  1  0.473  0.723  0.750  1.0
  Bi  Bi10  1  0.223  0.750  0.973  1.0
  Bi  Bi11  1  0.277  0.250  0.527  1.0
  Bi  Bi12  1  0.750  0.973  0.223  1.0
  Bi  Bi13  1  0.250  0.527  0.277  1.0
  Bi  Bi14  1  0.973  0.223  0.750  1.0
  Bi  Bi15  1  0.527  0.277  0.250  1.0
  O  O16  1  0.033  0.051  0.275  1.0
  O  O17  1  0.223  0.449  0.481  1.0
  O  O18  1  0.467  0.742  0.019  1.0
  O  O19  1  0.277  0.758  0.225  1.0
  O  O20  1  0.051  0.275  0.033  1.0
  O  O21  1  0.449  0.481  0.223  1.0
  O  O22  1  0.742  0.019  0.467  1.0
  O  O23  1  0.758  0.225  0.277  1.0
  O  O24  1  0.275  0.033  0.051  1.0
  O  O25  1  0.481  0.223  0.449  1.0
  O  O26  1  0.019  0.467  0.742  1.0
  O  O27  1  0.225  0.277  0.758  1.0
  O  O28  1  0.967  0.949  0.725  1.0
  O  O29  1  0.777  0.551  0.519  1.0
  O  O30  1  0.533  0.258  0.981  1.0
  O  O31  1  0.723  0.242  0.775  1.0
  O  O32  1  0.949  0.725  0.967  1.0
  O  O33  1  0.551  0.519  0.777  1.0
  O  O34  1  0.258  0.981  0.533  1.0
  O  O35  1  0.242  0.775  0.723  1.0
  O  O36  1  0.725  0.967  0.949  1.0
  O  O37  1  0.519  0.777  0.551  1.0
  O  O38  1  0.981  0.533  0.258  1.0
  O  O39  1  0.775  0.723  0.242  1.0
[/CIF]
.