The structure described by LiBi4O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form distorted edge-sharing BiO6 octahedra. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Bi(2), one Bi(3), and one Bi(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Bi(1), one Bi(2), and two equivalent Bi(4) atoms. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Bi(2), one Bi(3), and one Bi(4) atom. In the seventh O site, O(7) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_LiBi4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.831
_cell_length_b   7.347
_cell_length_c   8.223
_cell_angle_alpha   111.913
_cell_angle_beta   110.285
_cell_angle_gamma   85.238
_symmetry_Int_Tables_number   1
_cell_volume   358.597
_cell_formula_units_Z   2
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  0.000  0.500  1.0
  Bi  Bi2  1  0.231  0.620  0.215  1.0
  Bi  Bi3  1  0.654  0.863  0.147  1.0
  Bi  Bi4  1  0.203  0.608  0.725  1.0
  Bi  Bi5  1  0.679  0.855  0.626  1.0
  Bi  Bi6  1  0.321  0.145  0.374  1.0
  Bi  Bi7  1  0.797  0.392  0.275  1.0
  Bi  Bi8  1  0.346  0.137  0.853  1.0
  Bi  Bi9  1  0.769  0.380  0.785  1.0
  O  O10  1  0.264  0.855  0.103  1.0
  O  O11  1  0.040  0.927  0.731  1.0
  O  O12  1  0.308  0.918  0.499  1.0
  O  O13  1  0.164  0.482  0.422  1.0
  O  O14  1  0.605  0.674  0.305  1.0
  O  O15  1  0.455  0.229  0.170  1.0
  O  O16  1  0.135  0.390  0.897  1.0
  O  O17  1  0.865  0.610  0.103  1.0
  O  O18  1  0.545  0.771  0.830  1.0
  O  O19  1  0.395  0.326  0.695  1.0
  O  O20  1  0.836  0.518  0.578  1.0
  O  O21  1  0.692  0.082  0.501  1.0
  O  O22  1  0.960  0.073  0.269  1.0
  O  O23  1  0.736  0.145  0.897  1.0
[/CIF]
.
The structure described by LiBi4O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form distorted edge-sharing BiO6 octahedra. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Bi(2), one Bi(3), and one Bi(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Bi(1), one Bi(2), and two equivalent Bi(4) atoms. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(1), one Bi(2), one Bi(3), and one Bi(4) atom to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Bi(2), one Bi(3), and one Bi(4) atom. In the seventh O site, O(7) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_LiBi4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.831
_cell_length_b   7.347
_cell_length_c   8.223
_cell_angle_alpha   111.913
_cell_angle_beta   110.285
_cell_angle_gamma   85.238
_symmetry_Int_Tables_number   1
_cell_volume   358.597
_cell_formula_units_Z   2
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  0.000  0.500  1.0
  Bi  Bi2  1  0.231  0.620  0.215  1.0
  Bi  Bi3  1  0.654  0.863  0.147  1.0
  Bi  Bi4  1  0.203  0.608  0.725  1.0
  Bi  Bi5  1  0.679  0.855  0.626  1.0
  Bi  Bi6  1  0.321  0.145  0.374  1.0
  Bi  Bi7  1  0.797  0.392  0.275  1.0
  Bi  Bi8  1  0.346  0.137  0.853  1.0
  Bi  Bi9  1  0.769  0.380  0.785  1.0
  O  O10  1  0.264  0.855  0.103  1.0
  O  O11  1  0.040  0.927  0.731  1.0
  O  O12  1  0.308  0.918  0.499  1.0
  O  O13  1  0.164  0.482  0.422  1.0
  O  O14  1  0.605  0.674  0.305  1.0
  O  O15  1  0.455  0.229  0.170  1.0
  O  O16  1  0.135  0.390  0.897  1.0
  O  O17  1  0.865  0.610  0.103  1.0
  O  O18  1  0.545  0.771  0.830  1.0
  O  O19  1  0.395  0.326  0.695  1.0
  O  O20  1  0.836  0.518  0.578  1.0
  O  O21  1  0.692  0.082  0.501  1.0
  O  O22  1  0.960  0.073  0.269  1.0
  O  O23  1  0.736  0.145  0.897  1.0
[/CIF]
.