The material structure described by BiO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(2) atoms. is represented by the CIF card [CIF]
data_BiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.589
_cell_length_c   6.723
_cell_angle_alpha   106.845
_cell_angle_beta   112.734
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.966
_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  0.733  0.250  0.000  1.0
  Bi  Bi1  1  0.267  0.750  0.000  1.0
  Bi  Bi2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.323  0.020  0.813  1.0
  O  O5  1  0.114  0.648  0.352  1.0
  O  O6  1  0.886  0.352  0.648  1.0
  O  O7  1  0.761  0.852  0.648  1.0
  O  O8  1  0.239  0.148  0.352  1.0
  O  O9  1  0.490  0.520  0.813  1.0
  O  O10  1  0.510  0.480  0.187  1.0
  O  O11  1  0.677  0.980  0.187  1.0
[/CIF]
.
The material structure described by BiO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Bi(2) atoms. is represented by the CIF card [CIF]
data_BiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.196
_cell_length_b   5.589
_cell_length_c   6.723
_cell_angle_alpha   106.845
_cell_angle_beta   112.734
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.966
_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  0.733  0.250  0.000  1.0
  Bi  Bi1  1  0.267  0.750  0.000  1.0
  Bi  Bi2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.323  0.020  0.813  1.0
  O  O5  1  0.114  0.648  0.352  1.0
  O  O6  1  0.886  0.352  0.648  1.0
  O  O7  1  0.761  0.852  0.648  1.0
  O  O8  1  0.239  0.148  0.352  1.0
  O  O9  1  0.490  0.520  0.813  1.0
  O  O10  1  0.510  0.480  0.187  1.0
  O  O11  1  0.677  0.980  0.187  1.0
[/CIF]
.