The structure described by Bi2O3 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form corner-sharing OBi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.872
_cell_length_b   7.517
_cell_length_c   8.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.725
_symmetry_Int_Tables_number   1
_cell_volume   327.921
_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  0.237  0.276  0.457  1.0
  Bi  Bi1  1  0.263  0.224  0.957  1.0
  Bi  Bi2  1  0.763  0.724  0.543  1.0
  Bi  Bi3  1  0.737  0.776  0.043  1.0
  Bi  Bi4  1  0.344  0.867  0.313  1.0
  Bi  Bi5  1  0.156  0.633  0.813  1.0
  Bi  Bi6  1  0.656  0.133  0.687  1.0
  Bi  Bi7  1  0.844  0.367  0.187  1.0
  O  O8  1  0.741  0.011  0.468  1.0
  O  O9  1  0.759  0.489  0.968  1.0
  O  O10  1  0.259  0.989  0.532  1.0
  O  O11  1  0.241  0.511  0.032  1.0
  O  O12  1  0.389  0.624  0.449  1.0
  O  O13  1  0.111  0.876  0.949  1.0
  O  O14  1  0.611  0.376  0.551  1.0
  O  O15  1  0.889  0.124  0.051  1.0
  O  O16  1  0.930  0.708  0.297  1.0
  O  O17  1  0.570  0.792  0.797  1.0
  O  O18  1  0.070  0.292  0.703  1.0
  O  O19  1  0.430  0.208  0.203  1.0
[/CIF]
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The structure described by Bi2O3 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form corner-sharing OBi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.872
_cell_length_b   7.517
_cell_length_c   8.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.725
_symmetry_Int_Tables_number   1
_cell_volume   327.921
_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  0.237  0.276  0.457  1.0
  Bi  Bi1  1  0.263  0.224  0.957  1.0
  Bi  Bi2  1  0.763  0.724  0.543  1.0
  Bi  Bi3  1  0.737  0.776  0.043  1.0
  Bi  Bi4  1  0.344  0.867  0.313  1.0
  Bi  Bi5  1  0.156  0.633  0.813  1.0
  Bi  Bi6  1  0.656  0.133  0.687  1.0
  Bi  Bi7  1  0.844  0.367  0.187  1.0
  O  O8  1  0.741  0.011  0.468  1.0
  O  O9  1  0.759  0.489  0.968  1.0
  O  O10  1  0.259  0.989  0.532  1.0
  O  O11  1  0.241  0.511  0.032  1.0
  O  O12  1  0.389  0.624  0.449  1.0
  O  O13  1  0.111  0.876  0.949  1.0
  O  O14  1  0.611  0.376  0.551  1.0
  O  O15  1  0.889  0.124  0.051  1.0
  O  O16  1  0.930  0.708  0.297  1.0
  O  O17  1  0.570  0.792  0.797  1.0
  O  O18  1  0.070  0.292  0.703  1.0
  O  O19  1  0.430  0.208  0.203  1.0
[/CIF]
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