The compound described by BiO2 crystallizes in the trigonal R3m space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted tetrahedral geometry to one O(2), three equivalent O(1), and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one O(2), one O(3), three equivalent O(1), and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.585
_cell_length_c   5.585
_cell_angle_alpha   88.871
_cell_angle_beta   88.871
_cell_angle_gamma   88.871
_symmetry_Int_Tables_number   1
_cell_volume   174.096
_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  0.855  0.855  0.855  1.0
  Bi  Bi1  1  0.868  0.366  0.366  1.0
  Bi  Bi2  1  0.366  0.366  0.868  1.0
  Bi  Bi3  1  0.366  0.868  0.366  1.0
  O  O4  1  0.583  0.139  0.583  1.0
  O  O5  1  0.583  0.583  0.139  1.0
  O  O6  1  0.139  0.583  0.583  1.0
  O  O7  1  0.642  0.642  0.642  1.0
  O  O8  1  0.160  0.160  0.160  1.0
  O  O9  1  0.652  0.081  0.081  1.0
  O  O10  1  0.081  0.081  0.652  1.0
  O  O11  1  0.081  0.652  0.081  1.0
[/CIF]
.
The compound described by BiO2 crystallizes in the trigonal R3m space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted tetrahedral geometry to one O(2), three equivalent O(1), and three equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one O(2), one O(3), three equivalent O(1), and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.585
_cell_length_c   5.585
_cell_angle_alpha   88.871
_cell_angle_beta   88.871
_cell_angle_gamma   88.871
_symmetry_Int_Tables_number   1
_cell_volume   174.096
_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  0.855  0.855  0.855  1.0
  Bi  Bi1  1  0.868  0.366  0.366  1.0
  Bi  Bi2  1  0.366  0.366  0.868  1.0
  Bi  Bi3  1  0.366  0.868  0.366  1.0
  O  O4  1  0.583  0.139  0.583  1.0
  O  O5  1  0.583  0.583  0.139  1.0
  O  O6  1  0.139  0.583  0.583  1.0
  O  O7  1  0.642  0.642  0.642  1.0
  O  O8  1  0.160  0.160  0.160  1.0
  O  O9  1  0.652  0.081  0.081  1.0
  O  O10  1  0.081  0.081  0.652  1.0
  O  O11  1  0.081  0.652  0.081  1.0
[/CIF]
.