The crystal structure described by Bi2O3 crystallizes in the trigonal P-3m1 space group. Bi(1) is bonded to three equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with six equivalent O(2)Bi6 octahedra, corners with six equivalent O(1)Bi4 tetrahedra, edges with three equivalent O(2)Bi6 octahedra, and edges with three equivalent O(1)Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the second O site, O(2) is bonded to six equivalent Bi(1) atoms to form OBi6 octahedra that share corners with twelve equivalent O(1)Bi4 tetrahedra, edges with six equivalent O(2)Bi6 octahedra, and edges with six equivalent O(1)Bi4 tetrahedra. is represented by the CIF card [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.853
_cell_length_b   3.854
_cell_length_c   5.927
_cell_angle_alpha   90.000
_cell_angle_beta   89.997
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   76.224
_cell_formula_units_Z   1
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  0.667  0.333  0.756  1.0
  Bi  Bi1  1  0.333  0.667  0.244  1.0
  O  O2  1  0.667  0.333  0.368  1.0
  O  O3  1  0.333  0.667  0.632  1.0
  O  O4  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Bi2O3 crystallizes in the trigonal P-3m1 space group. Bi(1) is bonded to three equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with six equivalent O(2)Bi6 octahedra, corners with six equivalent O(1)Bi4 tetrahedra, edges with three equivalent O(2)Bi6 octahedra, and edges with three equivalent O(1)Bi4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the second O site, O(2) is bonded to six equivalent Bi(1) atoms to form OBi6 octahedra that share corners with twelve equivalent O(1)Bi4 tetrahedra, edges with six equivalent O(2)Bi6 octahedra, and edges with six equivalent O(1)Bi4 tetrahedra. is represented by the CIF card [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.853
_cell_length_b   3.854
_cell_length_c   5.927
_cell_angle_alpha   90.000
_cell_angle_beta   89.997
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   76.224
_cell_formula_units_Z   1
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  0.667  0.333  0.756  1.0
  Bi  Bi1  1  0.333  0.667  0.244  1.0
  O  O2  1  0.667  0.333  0.368  1.0
  O  O3  1  0.333  0.667  0.632  1.0
  O  O4  1  0.000  0.000  0.000  1.0
[/CIF]
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