The crystal structure described by Li2BiO3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Bi(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-86°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 1-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with six equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with six equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one Bi(2) atom to form OLi4Bi2 octahedra that share corners with two equivalent O(1)Li4Bi2 octahedra, corners with two equivalent O(3)Li4Bi2 octahedra, corners with two equivalent O(2)Li3Bi2 square pyramids, edges with two equivalent O(1)Li4Bi2 octahedra, edges with five equivalent O(3)Li4Bi2 octahedra, and edges with four equivalent O(2)Li3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Bi(1), and one Bi(2) atom to form OLi3Bi2 square pyramids that share corners with two equivalent O(1)Li4Bi2 octahedra, corners with four equivalent O(3)Li4Bi2 octahedra, corners with two equivalent O(2)Li3Bi2 square pyramids, edges with three equivalent O(3)Li4Bi2 octahedra, edges with four equivalent O(1)Li4Bi2 octahedra, and  an edgeedge with one O(2)Li3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 8-85°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one Bi(2) atom to form OLi4Bi2 octahedra that share corners with two equivalent O(1)Li4Bi2 octahedra, corners with two equivalent O(3)Li4Bi2 octahedra, corners with four equivalent O(2)Li3Bi2 square pyramids, edges with two equivalent O(3)Li4Bi2 octahedra, edges with five equivalent O(1)Li4Bi2 octahedra, and edges with three equivalent O(2)Li3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.679
_cell_length_b   5.679
_cell_length_c   10.417
_cell_angle_alpha   85.505
_cell_angle_beta   85.505
_cell_angle_gamma   118.211
_symmetry_Int_Tables_number   1
_cell_volume   292.538
_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  0.710  0.902  0.992  1.0
  Li  Li1  1  0.902  0.710  0.492  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.754  0.246  0.750  1.0
  Li  Li4  1  0.246  0.754  0.250  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.098  0.290  0.508  1.0
  Li  Li7  1  0.290  0.098  0.008  1.0
  Bi  Bi8  1  0.424  0.576  0.750  1.0
  Bi  Bi9  1  0.087  0.913  0.750  1.0
  Bi  Bi10  1  0.913  0.087  0.250  1.0
  Bi  Bi11  1  0.576  0.424  0.250  1.0
  O  O12  1  0.814  0.959  0.631  1.0
  O  O13  1  0.759  0.574  0.871  1.0
  O  O14  1  0.959  0.814  0.131  1.0
  O  O15  1  0.358  0.880  0.877  1.0
  O  O16  1  0.574  0.759  0.371  1.0
  O  O17  1  0.880  0.358  0.377  1.0
  O  O18  1  0.120  0.642  0.623  1.0
  O  O19  1  0.426  0.241  0.629  1.0
  O  O20  1  0.642  0.120  0.123  1.0
  O  O21  1  0.041  0.186  0.869  1.0
  O  O22  1  0.241  0.426  0.129  1.0
  O  O23  1  0.186  0.041  0.369  1.0
[/CIF]
.
The crystal structure described by Li2BiO3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Bi(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-86°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 1-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with six equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 6°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with six equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with four equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one Bi(2) atom to form OLi4Bi2 octahedra that share corners with two equivalent O(1)Li4Bi2 octahedra, corners with two equivalent O(3)Li4Bi2 octahedra, corners with two equivalent O(2)Li3Bi2 square pyramids, edges with two equivalent O(1)Li4Bi2 octahedra, edges with five equivalent O(3)Li4Bi2 octahedra, and edges with four equivalent O(2)Li3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Bi(1), and one Bi(2) atom to form OLi3Bi2 square pyramids that share corners with two equivalent O(1)Li4Bi2 octahedra, corners with four equivalent O(3)Li4Bi2 octahedra, corners with two equivalent O(2)Li3Bi2 square pyramids, edges with three equivalent O(3)Li4Bi2 octahedra, edges with four equivalent O(1)Li4Bi2 octahedra, and  an edgeedge with one O(2)Li3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 8-85°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one Bi(2) atom to form OLi4Bi2 octahedra that share corners with two equivalent O(1)Li4Bi2 octahedra, corners with two equivalent O(3)Li4Bi2 octahedra, corners with four equivalent O(2)Li3Bi2 square pyramids, edges with two equivalent O(3)Li4Bi2 octahedra, edges with five equivalent O(1)Li4Bi2 octahedra, and edges with three equivalent O(2)Li3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.679
_cell_length_b   5.679
_cell_length_c   10.417
_cell_angle_alpha   85.505
_cell_angle_beta   85.505
_cell_angle_gamma   118.211
_symmetry_Int_Tables_number   1
_cell_volume   292.538
_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  0.710  0.902  0.992  1.0
  Li  Li1  1  0.902  0.710  0.492  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.754  0.246  0.750  1.0
  Li  Li4  1  0.246  0.754  0.250  1.0
  Li  Li5  1  0.500  0.000  0.500  1.0
  Li  Li6  1  0.098  0.290  0.508  1.0
  Li  Li7  1  0.290  0.098  0.008  1.0
  Bi  Bi8  1  0.424  0.576  0.750  1.0
  Bi  Bi9  1  0.087  0.913  0.750  1.0
  Bi  Bi10  1  0.913  0.087  0.250  1.0
  Bi  Bi11  1  0.576  0.424  0.250  1.0
  O  O12  1  0.814  0.959  0.631  1.0
  O  O13  1  0.759  0.574  0.871  1.0
  O  O14  1  0.959  0.814  0.131  1.0
  O  O15  1  0.358  0.880  0.877  1.0
  O  O16  1  0.574  0.759  0.371  1.0
  O  O17  1  0.880  0.358  0.377  1.0
  O  O18  1  0.120  0.642  0.623  1.0
  O  O19  1  0.426  0.241  0.629  1.0
  O  O20  1  0.642  0.120  0.123  1.0
  O  O21  1  0.041  0.186  0.869  1.0
  O  O22  1  0.241  0.426  0.129  1.0
  O  O23  1  0.186  0.041  0.369  1.0
[/CIF]
.