The compound described by Bi2O3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. 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 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.671
_cell_length_b   7.671
_cell_length_c   5.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   301.952
_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  0.176  0.352  0.227  1.0
  Bi  Bi1  1  0.176  0.824  0.227  1.0
  Bi  Bi2  1  0.648  0.824  0.227  1.0
  Bi  Bi3  1  0.824  0.648  0.727  1.0
  Bi  Bi4  1  0.824  0.176  0.727  1.0
  Bi  Bi5  1  0.352  0.176  0.727  1.0
  Bi  Bi6  1  0.667  0.333  0.228  1.0
  Bi  Bi7  1  0.333  0.667  0.728  1.0
  O  O8  1  0.462  0.538  0.508  1.0
  O  O9  1  0.076  0.538  0.508  1.0
  O  O10  1  0.462  0.924  0.508  1.0
  O  O11  1  0.538  0.462  0.008  1.0
  O  O12  1  0.924  0.462  0.008  1.0
  O  O13  1  0.538  0.076  0.008  1.0
  O  O14  1  0.872  0.744  0.336  1.0
  O  O15  1  0.872  0.128  0.336  1.0
  O  O16  1  0.256  0.128  0.336  1.0
  O  O17  1  0.128  0.256  0.836  1.0
  O  O18  1  0.128  0.872  0.836  1.0
  O  O19  1  0.744  0.872  0.836  1.0
[/CIF]
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The compound described by Bi2O3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. 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 5-coordinate geometry to one Bi(2) and four equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.671
_cell_length_b   7.671
_cell_length_c   5.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   301.952
_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  0.176  0.352  0.227  1.0
  Bi  Bi1  1  0.176  0.824  0.227  1.0
  Bi  Bi2  1  0.648  0.824  0.227  1.0
  Bi  Bi3  1  0.824  0.648  0.727  1.0
  Bi  Bi4  1  0.824  0.176  0.727  1.0
  Bi  Bi5  1  0.352  0.176  0.727  1.0
  Bi  Bi6  1  0.667  0.333  0.228  1.0
  Bi  Bi7  1  0.333  0.667  0.728  1.0
  O  O8  1  0.462  0.538  0.508  1.0
  O  O9  1  0.076  0.538  0.508  1.0
  O  O10  1  0.462  0.924  0.508  1.0
  O  O11  1  0.538  0.462  0.008  1.0
  O  O12  1  0.924  0.462  0.008  1.0
  O  O13  1  0.538  0.076  0.008  1.0
  O  O14  1  0.872  0.744  0.336  1.0
  O  O15  1  0.872  0.128  0.336  1.0
  O  O16  1  0.256  0.128  0.336  1.0
  O  O17  1  0.128  0.256  0.836  1.0
  O  O18  1  0.128  0.872  0.836  1.0
  O  O19  1  0.744  0.872  0.836  1.0
[/CIF]
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