The crystal structure described by Li(BiO2)3 crystallizes in the cubic I2_13 space group. Li(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing BiO6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted corner-sharing OLiBi3 tetrahedra. is represented by the CIF card [CIF]
data_Li(BiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.351
_cell_length_b   9.351
_cell_length_c   9.351
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   629.534
_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
  Li  Li0  1  0.969  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.969  1.0
  Li  Li2  1  0.531  0.531  0.531  1.0
  Li  Li3  1  0.000  0.969  0.500  1.0
  Bi  Bi4  1  0.963  0.250  0.213  1.0
  Bi  Bi5  1  0.787  0.037  0.750  1.0
  Bi  Bi6  1  0.713  0.463  0.250  1.0
  Bi  Bi7  1  0.750  0.287  0.537  1.0
  Bi  Bi8  1  0.750  0.787  0.037  1.0
  Bi  Bi9  1  0.463  0.250  0.713  1.0
  Bi  Bi10  1  0.537  0.750  0.287  1.0
  Bi  Bi11  1  0.250  0.713  0.463  1.0
  Bi  Bi12  1  0.250  0.213  0.963  1.0
  Bi  Bi13  1  0.213  0.963  0.250  1.0
  Bi  Bi14  1  0.287  0.537  0.750  1.0
  Bi  Bi15  1  0.037  0.750  0.787  1.0
  O  O16  1  0.026  0.057  0.260  1.0
  O  O17  1  0.733  0.031  0.474  1.0
  O  O18  1  0.767  0.240  0.298  1.0
  O  O19  1  0.005  0.967  0.724  1.0
  O  O20  1  0.495  0.219  0.962  1.0
  O  O21  1  0.757  0.533  0.538  1.0
  O  O22  1  0.743  0.281  0.776  1.0
  O  O23  1  0.443  0.469  0.202  1.0
  O  O24  1  0.469  0.202  0.443  1.0
  O  O25  1  0.776  0.743  0.281  1.0
  O  O26  1  0.724  0.005  0.967  1.0
  O  O27  1  0.219  0.962  0.495  1.0
  O  O28  1  0.474  0.733  0.031  1.0
  O  O29  1  0.202  0.443  0.469  1.0
  O  O30  1  0.298  0.767  0.240  1.0
  O  O31  1  0.533  0.538  0.757  1.0
  O  O32  1  0.538  0.757  0.533  1.0
  O  O33  1  0.962  0.495  0.219  1.0
  O  O34  1  0.240  0.298  0.767  1.0
  O  O35  1  0.260  0.026  0.057  1.0
  O  O36  1  0.057  0.260  0.026  1.0
  O  O37  1  0.031  0.474  0.733  1.0
  O  O38  1  0.281  0.776  0.743  1.0
  O  O39  1  0.967  0.724  0.005  1.0
[/CIF]
.
The crystal structure described by Li(BiO2)3 crystallizes in the cubic I2_13 space group. Li(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing BiO6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted corner-sharing OLiBi3 tetrahedra. is represented by the CIF card [CIF]
data_Li(BiO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.351
_cell_length_b   9.351
_cell_length_c   9.351
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   629.534
_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
  Li  Li0  1  0.969  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.969  1.0
  Li  Li2  1  0.531  0.531  0.531  1.0
  Li  Li3  1  0.000  0.969  0.500  1.0
  Bi  Bi4  1  0.963  0.250  0.213  1.0
  Bi  Bi5  1  0.787  0.037  0.750  1.0
  Bi  Bi6  1  0.713  0.463  0.250  1.0
  Bi  Bi7  1  0.750  0.287  0.537  1.0
  Bi  Bi8  1  0.750  0.787  0.037  1.0
  Bi  Bi9  1  0.463  0.250  0.713  1.0
  Bi  Bi10  1  0.537  0.750  0.287  1.0
  Bi  Bi11  1  0.250  0.713  0.463  1.0
  Bi  Bi12  1  0.250  0.213  0.963  1.0
  Bi  Bi13  1  0.213  0.963  0.250  1.0
  Bi  Bi14  1  0.287  0.537  0.750  1.0
  Bi  Bi15  1  0.037  0.750  0.787  1.0
  O  O16  1  0.026  0.057  0.260  1.0
  O  O17  1  0.733  0.031  0.474  1.0
  O  O18  1  0.767  0.240  0.298  1.0
  O  O19  1  0.005  0.967  0.724  1.0
  O  O20  1  0.495  0.219  0.962  1.0
  O  O21  1  0.757  0.533  0.538  1.0
  O  O22  1  0.743  0.281  0.776  1.0
  O  O23  1  0.443  0.469  0.202  1.0
  O  O24  1  0.469  0.202  0.443  1.0
  O  O25  1  0.776  0.743  0.281  1.0
  O  O26  1  0.724  0.005  0.967  1.0
  O  O27  1  0.219  0.962  0.495  1.0
  O  O28  1  0.474  0.733  0.031  1.0
  O  O29  1  0.202  0.443  0.469  1.0
  O  O30  1  0.298  0.767  0.240  1.0
  O  O31  1  0.533  0.538  0.757  1.0
  O  O32  1  0.538  0.757  0.533  1.0
  O  O33  1  0.962  0.495  0.219  1.0
  O  O34  1  0.240  0.298  0.767  1.0
  O  O35  1  0.260  0.026  0.057  1.0
  O  O36  1  0.057  0.260  0.026  1.0
  O  O37  1  0.031  0.474  0.733  1.0
  O  O38  1  0.281  0.776  0.743  1.0
  O  O39  1  0.967  0.724  0.005  1.0
[/CIF]
.