The crystal structure described by Li4Bi3O8 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(7), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and edges with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded to one O(1), one O(2), and three equivalent O(8) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, edges with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 82°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(7), and two equivalent O(6) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(5), one O(8), and three equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, edges with two equivalent Bi(1)O6 octahedra, and edges with three equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 32°. In the second Bi site, Bi(2) is bonded to one O(3), one O(4), one O(6), and three equivalent O(7) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with two equivalent Bi(2)O6 octahedra, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(4), one O(6), one O(8), two equivalent O(2), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3) and three equivalent Bi(1) atoms to form distorted OLiBi3 trigonal pyramids that share corners with two equivalent O(8)Li3Bi2 trigonal bipyramids, corners with two equivalent O(1)LiBi3 trigonal pyramids, edges with two equivalent O(8)Li3Bi2 trigonal bipyramids, and edges with two equivalent O(1)LiBi3 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Bi(1), and two equivalent Bi(3) atoms. In the third O site, O(3) is bonded to one Li(2), one Li(4), two equivalent Li(1), and one Bi(2) atom to form distorted OLi4Bi trigonal bipyramids that share  a cornercorner with one O(6)Li3Bi2 square pyramid, corners with two equivalent O(3)Li4Bi trigonal bipyramids, edges with two equivalent O(6)Li3Bi2 square pyramids, and edges with three equivalent O(7)Li2Bi3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), one Bi(2), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Bi(1), and two equivalent Bi(3) atoms. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(4), one Bi(2), and one Bi(3) atom to form distorted OLi3Bi2 square pyramids that share corners with two equivalent O(6)Li3Bi2 square pyramids,  a cornercorner with one O(8)Li3Bi2 trigonal bipyramid,  a cornercorner with one O(3)Li4Bi trigonal bipyramid, edges with two equivalent O(3)Li4Bi trigonal bipyramids, and edges with three equivalent O(7)Li2Bi3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), and three equivalent Bi(2) atoms to form OLi2Bi3 trigonal bipyramids that share corners with two equivalent O(7)Li2Bi3 trigonal bipyramids, edges with three equivalent O(6)Li3Bi2 square pyramids, edges with two equivalent O(7)Li2Bi3 trigonal bipyramids, and edges with three equivalent O(3)Li4Bi trigonal bipyramids. In the eighth O site, O(8) is bonded to three equivalent Li(3), one Bi(1), and one Bi(3) atom to form OLi3Bi2 trigonal bipyramids that share  a cornercorner with one O(6)Li3Bi2 square pyramid, corners with two equivalent O(8)Li3Bi2 trigonal bipyramids, corners with two equivalent O(1)LiBi3 trigonal pyramids, edges with two equivalent O(8)Li3Bi2 trigonal bipyramids, and edges with two equivalent O(1)LiBi3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li4Bi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   6.561
_cell_length_c   14.073
_cell_angle_alpha   89.194
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.546
_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  0.250  0.799  0.395  1.0
  Li  Li1  1  0.250  0.966  0.676  1.0
  Li  Li2  1  0.750  0.388  0.041  1.0
  Li  Li3  1  0.750  0.589  0.317  1.0
  Li  Li4  1  0.250  0.411  0.683  1.0
  Li  Li5  1  0.250  0.612  0.959  1.0
  Li  Li6  1  0.750  0.034  0.324  1.0
  Li  Li7  1  0.750  0.201  0.605  1.0
  Bi  Bi8  1  0.750  0.845  0.086  1.0
  Bi  Bi9  1  0.750  0.687  0.551  1.0
  Bi  Bi10  1  0.750  0.689  0.806  1.0
  Bi  Bi11  1  0.250  0.311  0.194  1.0
  Bi  Bi12  1  0.250  0.313  0.449  1.0
  Bi  Bi13  1  0.250  0.155  0.914  1.0
  O  O14  1  0.250  0.895  0.049  1.0
  O  O15  1  0.750  0.567  0.175  1.0
  O  O16  1  0.750  0.812  0.415  1.0
  O  O17  1  0.750  0.914  0.655  1.0
  O  O18  1  0.250  0.880  0.813  1.0
  O  O19  1  0.250  0.525  0.332  1.0
  O  O20  1  0.250  0.630  0.534  1.0
  O  O21  1  0.250  0.361  0.036  1.0
  O  O22  1  0.750  0.639  0.964  1.0
  O  O23  1  0.750  0.370  0.466  1.0
  O  O24  1  0.750  0.475  0.668  1.0
  O  O25  1  0.750  0.120  0.187  1.0
  O  O26  1  0.250  0.086  0.345  1.0
  O  O27  1  0.250  0.188  0.585  1.0
  O  O28  1  0.250  0.433  0.825  1.0
  O  O29  1  0.750  0.105  0.951  1.0
[/CIF]
.
The crystal structure described by Li4Bi3O8 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(6), one O(7), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and edges with three equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(5), and two equivalent O(4) atoms. In the third Li site, Li(3) is bonded to one O(1), one O(2), and three equivalent O(8) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, edges with three equivalent Bi(1)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 82°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(7), and two equivalent O(6) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(5), one O(8), and three equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, edges with two equivalent Bi(1)O6 octahedra, and edges with three equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 32°. In the second Bi site, Bi(2) is bonded to one O(3), one O(4), one O(6), and three equivalent O(7) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, edges with two equivalent Bi(2)O6 octahedra, and edges with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(4), one O(6), one O(8), two equivalent O(2), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3) and three equivalent Bi(1) atoms to form distorted OLiBi3 trigonal pyramids that share corners with two equivalent O(8)Li3Bi2 trigonal bipyramids, corners with two equivalent O(1)LiBi3 trigonal pyramids, edges with two equivalent O(8)Li3Bi2 trigonal bipyramids, and edges with two equivalent O(1)LiBi3 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Bi(1), and two equivalent Bi(3) atoms. In the third O site, O(3) is bonded to one Li(2), one Li(4), two equivalent Li(1), and one Bi(2) atom to form distorted OLi4Bi trigonal bipyramids that share  a cornercorner with one O(6)Li3Bi2 square pyramid, corners with two equivalent O(3)Li4Bi trigonal bipyramids, edges with two equivalent O(6)Li3Bi2 square pyramids, and edges with three equivalent O(7)Li2Bi3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), one Bi(2), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Bi(1), and two equivalent Bi(3) atoms. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(4), one Bi(2), and one Bi(3) atom to form distorted OLi3Bi2 square pyramids that share corners with two equivalent O(6)Li3Bi2 square pyramids,  a cornercorner with one O(8)Li3Bi2 trigonal bipyramid,  a cornercorner with one O(3)Li4Bi trigonal bipyramid, edges with two equivalent O(3)Li4Bi trigonal bipyramids, and edges with three equivalent O(7)Li2Bi3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), and three equivalent Bi(2) atoms to form OLi2Bi3 trigonal bipyramids that share corners with two equivalent O(7)Li2Bi3 trigonal bipyramids, edges with three equivalent O(6)Li3Bi2 square pyramids, edges with two equivalent O(7)Li2Bi3 trigonal bipyramids, and edges with three equivalent O(3)Li4Bi trigonal bipyramids. In the eighth O site, O(8) is bonded to three equivalent Li(3), one Bi(1), and one Bi(3) atom to form OLi3Bi2 trigonal bipyramids that share  a cornercorner with one O(6)Li3Bi2 square pyramid, corners with two equivalent O(8)Li3Bi2 trigonal bipyramids, corners with two equivalent O(1)LiBi3 trigonal pyramids, edges with two equivalent O(8)Li3Bi2 trigonal bipyramids, and edges with two equivalent O(1)LiBi3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li4Bi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   6.561
_cell_length_c   14.073
_cell_angle_alpha   89.194
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   392.546
_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  0.250  0.799  0.395  1.0
  Li  Li1  1  0.250  0.966  0.676  1.0
  Li  Li2  1  0.750  0.388  0.041  1.0
  Li  Li3  1  0.750  0.589  0.317  1.0
  Li  Li4  1  0.250  0.411  0.683  1.0
  Li  Li5  1  0.250  0.612  0.959  1.0
  Li  Li6  1  0.750  0.034  0.324  1.0
  Li  Li7  1  0.750  0.201  0.605  1.0
  Bi  Bi8  1  0.750  0.845  0.086  1.0
  Bi  Bi9  1  0.750  0.687  0.551  1.0
  Bi  Bi10  1  0.750  0.689  0.806  1.0
  Bi  Bi11  1  0.250  0.311  0.194  1.0
  Bi  Bi12  1  0.250  0.313  0.449  1.0
  Bi  Bi13  1  0.250  0.155  0.914  1.0
  O  O14  1  0.250  0.895  0.049  1.0
  O  O15  1  0.750  0.567  0.175  1.0
  O  O16  1  0.750  0.812  0.415  1.0
  O  O17  1  0.750  0.914  0.655  1.0
  O  O18  1  0.250  0.880  0.813  1.0
  O  O19  1  0.250  0.525  0.332  1.0
  O  O20  1  0.250  0.630  0.534  1.0
  O  O21  1  0.250  0.361  0.036  1.0
  O  O22  1  0.750  0.639  0.964  1.0
  O  O23  1  0.750  0.370  0.466  1.0
  O  O24  1  0.750  0.475  0.668  1.0
  O  O25  1  0.750  0.120  0.187  1.0
  O  O26  1  0.250  0.086  0.345  1.0
  O  O27  1  0.250  0.188  0.585  1.0
  O  O28  1  0.250  0.433  0.825  1.0
  O  O29  1  0.750  0.105  0.951  1.0
[/CIF]
.