The crystal structure described by LiB2BiO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent B(2)O4 tetrahedra. 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(4), and one O(5) atom. In the second B site, B(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(2)O4 tetrahedra and corners with four equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one B(2), and one Bi(1) atom to form distorted corner-sharing OLi2BiB tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent B(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one B(1), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBiB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   5.624
_cell_length_c   17.566
_cell_angle_alpha   81.948
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.957
_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  0.257  0.396  0.712  1.0
  Li  Li1  1  0.757  0.604  0.788  1.0
  Li  Li2  1  0.243  0.396  0.212  1.0
  Li  Li3  1  0.743  0.604  0.288  1.0
  Bi  Bi4  1  0.354  0.248  0.916  1.0
  Bi  Bi5  1  0.854  0.752  0.584  1.0
  Bi  Bi6  1  0.146  0.248  0.416  1.0
  Bi  Bi7  1  0.646  0.752  0.084  1.0
  B  B8  1  0.457  0.787  0.407  1.0
  B  B9  1  0.276  0.924  0.214  1.0
  B  B10  1  0.776  0.076  0.286  1.0
  B  B11  1  0.957  0.213  0.093  1.0
  B  B12  1  0.043  0.787  0.907  1.0
  B  B13  1  0.224  0.924  0.714  1.0
  B  B14  1  0.724  0.076  0.786  1.0
  B  B15  1  0.543  0.213  0.593  1.0
  O  O16  1  0.455  0.435  0.609  1.0
  O  O17  1  0.551  0.299  0.797  1.0
  O  O18  1  0.017  0.885  0.274  1.0
  O  O19  1  0.097  0.996  0.133  1.0
  O  O20  1  0.237  0.833  0.465  1.0
  O  O21  1  0.051  0.701  0.703  1.0
  O  O22  1  0.955  0.565  0.891  1.0
  O  O23  1  0.737  0.167  0.035  1.0
  O  O24  1  0.597  0.004  0.367  1.0
  O  O25  1  0.517  0.115  0.226  1.0
  O  O26  1  0.483  0.885  0.774  1.0
  O  O27  1  0.403  0.996  0.633  1.0
  O  O28  1  0.263  0.833  0.965  1.0
  O  O29  1  0.045  0.435  0.109  1.0
  O  O30  1  0.949  0.299  0.297  1.0
  O  O31  1  0.763  0.167  0.535  1.0
  O  O32  1  0.903  0.004  0.867  1.0
  O  O33  1  0.983  0.115  0.726  1.0
  O  O34  1  0.449  0.701  0.203  1.0
  O  O35  1  0.545  0.565  0.391  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(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent B(2)O4 tetrahedra. 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(4), and one O(5) atom. In the second B site, B(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form BO4 tetrahedra that share corners with two equivalent B(2)O4 tetrahedra and corners with four equivalent Li(1)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one B(2), and one Bi(1) atom to form distorted corner-sharing OLi2BiB tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent B(2) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one B(1), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBiB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   5.624
_cell_length_c   17.566
_cell_angle_alpha   81.948
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.957
_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  0.257  0.396  0.712  1.0
  Li  Li1  1  0.757  0.604  0.788  1.0
  Li  Li2  1  0.243  0.396  0.212  1.0
  Li  Li3  1  0.743  0.604  0.288  1.0
  Bi  Bi4  1  0.354  0.248  0.916  1.0
  Bi  Bi5  1  0.854  0.752  0.584  1.0
  Bi  Bi6  1  0.146  0.248  0.416  1.0
  Bi  Bi7  1  0.646  0.752  0.084  1.0
  B  B8  1  0.457  0.787  0.407  1.0
  B  B9  1  0.276  0.924  0.214  1.0
  B  B10  1  0.776  0.076  0.286  1.0
  B  B11  1  0.957  0.213  0.093  1.0
  B  B12  1  0.043  0.787  0.907  1.0
  B  B13  1  0.224  0.924  0.714  1.0
  B  B14  1  0.724  0.076  0.786  1.0
  B  B15  1  0.543  0.213  0.593  1.0
  O  O16  1  0.455  0.435  0.609  1.0
  O  O17  1  0.551  0.299  0.797  1.0
  O  O18  1  0.017  0.885  0.274  1.0
  O  O19  1  0.097  0.996  0.133  1.0
  O  O20  1  0.237  0.833  0.465  1.0
  O  O21  1  0.051  0.701  0.703  1.0
  O  O22  1  0.955  0.565  0.891  1.0
  O  O23  1  0.737  0.167  0.035  1.0
  O  O24  1  0.597  0.004  0.367  1.0
  O  O25  1  0.517  0.115  0.226  1.0
  O  O26  1  0.483  0.885  0.774  1.0
  O  O27  1  0.403  0.996  0.633  1.0
  O  O28  1  0.263  0.833  0.965  1.0
  O  O29  1  0.045  0.435  0.109  1.0
  O  O30  1  0.949  0.299  0.297  1.0
  O  O31  1  0.763  0.167  0.535  1.0
  O  O32  1  0.903  0.004  0.867  1.0
  O  O33  1  0.983  0.115  0.726  1.0
  O  O34  1  0.449  0.701  0.203  1.0
  O  O35  1  0.545  0.565  0.391  1.0
[/CIF]
.