The crystal structure described by Bi2O3 crystallizes in the tetragonal P-4b2 space group. Bi(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.592
_cell_length_b   5.598
_cell_length_c   5.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.223
_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
  Bi  Bi0  1  0.751  0.251  0.251  1.0
  Bi  Bi1  1  0.249  0.251  0.749  1.0
  Bi  Bi2  1  0.751  0.749  0.749  1.0
  Bi  Bi3  1  0.249  0.749  0.251  1.0
  O  O4  1  1.000  0.000  0.500  1.0
  O  O5  1  0.500  0.500  1.000  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.000  0.500  1.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Bi2O3 crystallizes in the tetragonal P-4b2 space group. Bi(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.592
_cell_length_b   5.598
_cell_length_c   5.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.223
_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
  Bi  Bi0  1  0.751  0.251  0.251  1.0
  Bi  Bi1  1  0.249  0.251  0.749  1.0
  Bi  Bi2  1  0.751  0.749  0.749  1.0
  Bi  Bi3  1  0.249  0.749  0.251  1.0
  O  O4  1  1.000  0.000  0.500  1.0
  O  O5  1  0.500  0.500  1.000  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.000  0.500  1.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.500  0.000  0.500  1.0
[/CIF]
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