The crystal structure described by LiB2BiO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 31-62°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. Bi(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with three equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one B(2), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_LiBiB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.030
_cell_length_b   6.751
_cell_length_c   6.981
_cell_angle_alpha   71.847
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.907
_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  0.494  0.632  0.808  1.0
  Li  Li1  1  0.006  0.132  0.808  1.0
  Li  Li2  1  0.994  0.868  0.192  1.0
  Li  Li3  1  0.506  0.368  0.192  1.0
  Bi  Bi4  1  0.831  0.770  0.755  1.0
  Bi  Bi5  1  0.669  0.270  0.755  1.0
  Bi  Bi6  1  0.331  0.730  0.245  1.0
  Bi  Bi7  1  0.169  0.230  0.245  1.0
  B  B8  1  0.107  0.688  0.903  1.0
  B  B9  1  0.393  0.188  0.903  1.0
  B  B10  1  0.077  0.759  0.527  1.0
  B  B11  1  0.577  0.741  0.473  1.0
  B  B12  1  0.423  0.259  0.527  1.0
  B  B13  1  0.923  0.241  0.473  1.0
  B  B14  1  0.607  0.812  0.097  1.0
  B  B15  1  0.893  0.312  0.097  1.0
  O  O16  1  0.681  0.922  0.941  1.0
  O  O17  1  0.011  0.809  0.932  1.0
  O  O18  1  0.819  0.422  0.941  1.0
  O  O19  1  0.489  0.309  0.932  1.0
  O  O20  1  0.133  0.675  0.713  1.0
  O  O21  1  0.649  0.655  0.642  1.0
  O  O22  1  0.367  0.175  0.713  1.0
  O  O23  1  0.954  0.761  0.496  1.0
  O  O24  1  0.851  0.155  0.642  1.0
  O  O25  1  0.454  0.739  0.504  1.0
  O  O26  1  0.546  0.261  0.496  1.0
  O  O27  1  0.149  0.845  0.358  1.0
  O  O28  1  0.046  0.239  0.504  1.0
  O  O29  1  0.633  0.825  0.287  1.0
  O  O30  1  0.351  0.345  0.358  1.0
  O  O31  1  0.867  0.325  0.287  1.0
  O  O32  1  0.511  0.691  0.068  1.0
  O  O33  1  0.181  0.578  0.059  1.0
  O  O34  1  0.989  0.191  0.068  1.0
  O  O35  1  0.319  0.078  0.059  1.0
[/CIF]
.
The crystal structure described by LiB2BiO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 31-62°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. Bi(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with three equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one B(2), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_LiBiB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.030
_cell_length_b   6.751
_cell_length_c   6.981
_cell_angle_alpha   71.847
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   493.907
_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  0.494  0.632  0.808  1.0
  Li  Li1  1  0.006  0.132  0.808  1.0
  Li  Li2  1  0.994  0.868  0.192  1.0
  Li  Li3  1  0.506  0.368  0.192  1.0
  Bi  Bi4  1  0.831  0.770  0.755  1.0
  Bi  Bi5  1  0.669  0.270  0.755  1.0
  Bi  Bi6  1  0.331  0.730  0.245  1.0
  Bi  Bi7  1  0.169  0.230  0.245  1.0
  B  B8  1  0.107  0.688  0.903  1.0
  B  B9  1  0.393  0.188  0.903  1.0
  B  B10  1  0.077  0.759  0.527  1.0
  B  B11  1  0.577  0.741  0.473  1.0
  B  B12  1  0.423  0.259  0.527  1.0
  B  B13  1  0.923  0.241  0.473  1.0
  B  B14  1  0.607  0.812  0.097  1.0
  B  B15  1  0.893  0.312  0.097  1.0
  O  O16  1  0.681  0.922  0.941  1.0
  O  O17  1  0.011  0.809  0.932  1.0
  O  O18  1  0.819  0.422  0.941  1.0
  O  O19  1  0.489  0.309  0.932  1.0
  O  O20  1  0.133  0.675  0.713  1.0
  O  O21  1  0.649  0.655  0.642  1.0
  O  O22  1  0.367  0.175  0.713  1.0
  O  O23  1  0.954  0.761  0.496  1.0
  O  O24  1  0.851  0.155  0.642  1.0
  O  O25  1  0.454  0.739  0.504  1.0
  O  O26  1  0.546  0.261  0.496  1.0
  O  O27  1  0.149  0.845  0.358  1.0
  O  O28  1  0.046  0.239  0.504  1.0
  O  O29  1  0.633  0.825  0.287  1.0
  O  O30  1  0.351  0.345  0.358  1.0
  O  O31  1  0.867  0.325  0.287  1.0
  O  O32  1  0.511  0.691  0.068  1.0
  O  O33  1  0.181  0.578  0.059  1.0
  O  O34  1  0.989  0.191  0.068  1.0
  O  O35  1  0.319  0.078  0.059  1.0
[/CIF]
.