The compound 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 in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. 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, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. 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, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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 a mixture of corner and edge-sharing OLi4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OLi4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. 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 a mixture of corner and edge-sharing OLi4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. is represented by the CIF file [CIF]
data_Li2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.696
_cell_length_c   10.384
_cell_angle_alpha   85.320
_cell_angle_beta   85.320
_cell_angle_gamma   119.721
_symmetry_Int_Tables_number   1
_cell_volume   288.702
_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  0.880  0.692  0.005  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.911  0.089  0.750  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.308  0.120  0.495  1.0
  Li  Li5  1  0.692  0.880  0.505  1.0
  Li  Li6  1  0.089  0.911  0.250  1.0
  Li  Li7  1  0.120  0.308  0.995  1.0
  Bi  Bi8  1  0.754  0.246  0.250  1.0
  Bi  Bi9  1  0.579  0.421  0.750  1.0
  Bi  Bi10  1  0.421  0.579  0.250  1.0
  Bi  Bi11  1  0.246  0.754  0.750  1.0
  O  O12  1  0.981  0.803  0.626  1.0
  O  O13  1  0.722  0.514  0.377  1.0
  O  O14  1  0.907  0.400  0.868  1.0
  O  O15  1  0.486  0.278  0.123  1.0
  O  O16  1  0.803  0.981  0.126  1.0
  O  O17  1  0.400  0.907  0.368  1.0
  O  O18  1  0.600  0.093  0.632  1.0
  O  O19  1  0.197  0.019  0.874  1.0
  O  O20  1  0.514  0.722  0.877  1.0
  O  O21  1  0.093  0.600  0.132  1.0
  O  O22  1  0.278  0.486  0.623  1.0
  O  O23  1  0.019  0.197  0.374  1.0
[/CIF]
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The compound 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 in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. 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, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and edges with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. 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, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. 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 a mixture of corner and edge-sharing OLi4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OLi4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. 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 a mixture of corner and edge-sharing OLi4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. is represented by the CIF file [CIF]
data_Li2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.696
_cell_length_c   10.384
_cell_angle_alpha   85.320
_cell_angle_beta   85.320
_cell_angle_gamma   119.721
_symmetry_Int_Tables_number   1
_cell_volume   288.702
_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  0.880  0.692  0.005  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.911  0.089  0.750  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.308  0.120  0.495  1.0
  Li  Li5  1  0.692  0.880  0.505  1.0
  Li  Li6  1  0.089  0.911  0.250  1.0
  Li  Li7  1  0.120  0.308  0.995  1.0
  Bi  Bi8  1  0.754  0.246  0.250  1.0
  Bi  Bi9  1  0.579  0.421  0.750  1.0
  Bi  Bi10  1  0.421  0.579  0.250  1.0
  Bi  Bi11  1  0.246  0.754  0.750  1.0
  O  O12  1  0.981  0.803  0.626  1.0
  O  O13  1  0.722  0.514  0.377  1.0
  O  O14  1  0.907  0.400  0.868  1.0
  O  O15  1  0.486  0.278  0.123  1.0
  O  O16  1  0.803  0.981  0.126  1.0
  O  O17  1  0.400  0.907  0.368  1.0
  O  O18  1  0.600  0.093  0.632  1.0
  O  O19  1  0.197  0.019  0.874  1.0
  O  O20  1  0.514  0.722  0.877  1.0
  O  O21  1  0.093  0.600  0.132  1.0
  O  O22  1  0.278  0.486  0.623  1.0
  O  O23  1  0.019  0.197  0.374  1.0
[/CIF]
.