The material described by Bi2O3 crystallizes in the trigonal P31c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   7.761
_cell_length_c   7.761
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.492
_cell_formula_units_Z   4
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  0.240  0.197  0.345  1.0
  Bi  Bi1  1  0.240  0.148  0.803  1.0
  Bi  Bi2  1  0.240  0.655  0.853  1.0
  Bi  Bi3  1  0.740  0.852  0.655  1.0
  Bi  Bi4  1  0.740  0.345  0.197  1.0
  Bi  Bi5  1  0.740  0.803  0.147  1.0
  Bi  Bi6  1  0.247  0.667  0.333  1.0
  Bi  Bi7  1  0.747  0.333  0.667  1.0
  O  O8  1  0.542  0.419  0.496  1.0
  O  O9  1  0.542  0.077  0.581  1.0
  O  O10  1  0.542  0.504  0.923  1.0
  O  O11  1  0.042  0.923  0.504  1.0
  O  O12  1  0.042  0.496  0.419  1.0
  O  O13  1  0.042  0.581  0.077  1.0
  O  O14  1  0.360  0.866  0.748  1.0
  O  O15  1  0.360  0.883  0.134  1.0
  O  O16  1  0.360  0.252  0.117  1.0
  O  O17  1  0.860  0.117  0.252  1.0
  O  O18  1  0.860  0.748  0.866  1.0
  O  O19  1  0.860  0.134  0.883  1.0
[/CIF]
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The material described by Bi2O3 crystallizes in the trigonal P31c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to three equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   7.761
_cell_length_c   7.761
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.492
_cell_formula_units_Z   4
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  0.240  0.197  0.345  1.0
  Bi  Bi1  1  0.240  0.148  0.803  1.0
  Bi  Bi2  1  0.240  0.655  0.853  1.0
  Bi  Bi3  1  0.740  0.852  0.655  1.0
  Bi  Bi4  1  0.740  0.345  0.197  1.0
  Bi  Bi5  1  0.740  0.803  0.147  1.0
  Bi  Bi6  1  0.247  0.667  0.333  1.0
  Bi  Bi7  1  0.747  0.333  0.667  1.0
  O  O8  1  0.542  0.419  0.496  1.0
  O  O9  1  0.542  0.077  0.581  1.0
  O  O10  1  0.542  0.504  0.923  1.0
  O  O11  1  0.042  0.923  0.504  1.0
  O  O12  1  0.042  0.496  0.419  1.0
  O  O13  1  0.042  0.581  0.077  1.0
  O  O14  1  0.360  0.866  0.748  1.0
  O  O15  1  0.360  0.883  0.134  1.0
  O  O16  1  0.360  0.252  0.117  1.0
  O  O17  1  0.860  0.117  0.252  1.0
  O  O18  1  0.860  0.748  0.866  1.0
  O  O19  1  0.860  0.134  0.883  1.0
[/CIF]
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