The material described by Li(BiO2)2 crystallizes in the orthorhombic Pbca space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and faces with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. Bi(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted BiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with ten equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Li(1) and three equivalent Bi(1) atoms to form distorted corner-sharing OLiBi3 tetrahedra. is represented by the CIF file [CIF]
data_Li(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.516
_cell_length_b   6.123
_cell_length_c   11.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.572
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Bi  Bi4  1  0.009  0.598  0.140  1.0
  Bi  Bi5  1  0.009  0.902  0.640  1.0
  Bi  Bi6  1  0.491  0.402  0.640  1.0
  Bi  Bi7  1  0.491  0.098  0.140  1.0
  Bi  Bi8  1  0.509  0.902  0.860  1.0
  Bi  Bi9  1  0.509  0.598  0.360  1.0
  Bi  Bi10  1  0.991  0.098  0.360  1.0
  Bi  Bi11  1  0.991  0.402  0.860  1.0
  O  O12  1  0.178  0.324  0.035  1.0
  O  O13  1  0.178  0.176  0.535  1.0
  O  O14  1  0.159  0.059  0.812  1.0
  O  O15  1  0.159  0.441  0.312  1.0
  O  O16  1  0.341  0.559  0.812  1.0
  O  O17  1  0.341  0.941  0.312  1.0
  O  O18  1  0.322  0.824  0.035  1.0
  O  O19  1  0.322  0.676  0.535  1.0
  O  O20  1  0.678  0.324  0.465  1.0
  O  O21  1  0.678  0.176  0.965  1.0
  O  O22  1  0.659  0.441  0.188  1.0
  O  O23  1  0.659  0.059  0.688  1.0
  O  O24  1  0.841  0.941  0.188  1.0
  O  O25  1  0.841  0.559  0.688  1.0
  O  O26  1  0.822  0.824  0.465  1.0
  O  O27  1  0.822  0.676  0.965  1.0
[/CIF]
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The material described by Li(BiO2)2 crystallizes in the orthorhombic Pbca space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and faces with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. Bi(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted BiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with ten equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Li(1) and three equivalent Bi(1) atoms to form distorted corner-sharing OLiBi3 tetrahedra. is represented by the CIF file [CIF]
data_Li(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.516
_cell_length_b   6.123
_cell_length_c   11.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.572
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Bi  Bi4  1  0.009  0.598  0.140  1.0
  Bi  Bi5  1  0.009  0.902  0.640  1.0
  Bi  Bi6  1  0.491  0.402  0.640  1.0
  Bi  Bi7  1  0.491  0.098  0.140  1.0
  Bi  Bi8  1  0.509  0.902  0.860  1.0
  Bi  Bi9  1  0.509  0.598  0.360  1.0
  Bi  Bi10  1  0.991  0.098  0.360  1.0
  Bi  Bi11  1  0.991  0.402  0.860  1.0
  O  O12  1  0.178  0.324  0.035  1.0
  O  O13  1  0.178  0.176  0.535  1.0
  O  O14  1  0.159  0.059  0.812  1.0
  O  O15  1  0.159  0.441  0.312  1.0
  O  O16  1  0.341  0.559  0.812  1.0
  O  O17  1  0.341  0.941  0.312  1.0
  O  O18  1  0.322  0.824  0.035  1.0
  O  O19  1  0.322  0.676  0.535  1.0
  O  O20  1  0.678  0.324  0.465  1.0
  O  O21  1  0.678  0.176  0.965  1.0
  O  O22  1  0.659  0.441  0.188  1.0
  O  O23  1  0.659  0.059  0.688  1.0
  O  O24  1  0.841  0.941  0.188  1.0
  O  O25  1  0.841  0.559  0.688  1.0
  O  O26  1  0.822  0.824  0.465  1.0
  O  O27  1  0.822  0.676  0.965  1.0
[/CIF]
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