The crystal structure described by Li2BBiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing LiO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one B(1) atom to form corner-sharing OLi3B tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Li2BiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.025
_cell_length_b   7.188
_cell_length_c   11.120
_cell_angle_alpha   88.694
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.574
_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  0.348  0.085  0.799  1.0
  Li  Li1  1  0.152  0.085  0.299  1.0
  Li  Li2  1  0.219  0.188  0.572  1.0
  Li  Li3  1  0.281  0.188  0.072  1.0
  Li  Li4  1  0.719  0.812  0.928  1.0
  Li  Li5  1  0.781  0.812  0.428  1.0
  Li  Li6  1  0.848  0.915  0.701  1.0
  Li  Li7  1  0.652  0.915  0.201  1.0
  Bi  Bi8  1  0.235  0.503  0.868  1.0
  Bi  Bi9  1  0.735  0.497  0.632  1.0
  Bi  Bi10  1  0.265  0.503  0.368  1.0
  Bi  Bi11  1  0.765  0.497  0.132  1.0
  B  B12  1  0.793  0.174  0.918  1.0
  B  B13  1  0.707  0.174  0.418  1.0
  B  B14  1  0.293  0.826  0.582  1.0
  B  B15  1  0.207  0.826  0.082  1.0
  O  O16  1  0.718  0.044  0.835  1.0
  O  O17  1  0.782  0.044  0.335  1.0
  O  O18  1  0.066  0.226  0.923  1.0
  O  O19  1  0.434  0.226  0.423  1.0
  O  O20  1  0.886  0.250  0.497  1.0
  O  O21  1  0.350  0.385  0.690  1.0
  O  O22  1  0.614  0.250  0.997  1.0
  O  O23  1  0.150  0.385  0.190  1.0
  O  O24  1  0.850  0.615  0.810  1.0
  O  O25  1  0.386  0.750  0.003  1.0
  O  O26  1  0.650  0.615  0.310  1.0
  O  O27  1  0.114  0.750  0.503  1.0
  O  O28  1  0.566  0.774  0.577  1.0
  O  O29  1  0.934  0.774  0.077  1.0
  O  O30  1  0.218  0.956  0.665  1.0
  O  O31  1  0.282  0.956  0.165  1.0
[/CIF]
.
The crystal structure described by Li2BBiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing LiO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one B(1) atom to form corner-sharing OLi3B tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Li2BiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.025
_cell_length_b   7.188
_cell_length_c   11.120
_cell_angle_alpha   88.694
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.574
_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  0.348  0.085  0.799  1.0
  Li  Li1  1  0.152  0.085  0.299  1.0
  Li  Li2  1  0.219  0.188  0.572  1.0
  Li  Li3  1  0.281  0.188  0.072  1.0
  Li  Li4  1  0.719  0.812  0.928  1.0
  Li  Li5  1  0.781  0.812  0.428  1.0
  Li  Li6  1  0.848  0.915  0.701  1.0
  Li  Li7  1  0.652  0.915  0.201  1.0
  Bi  Bi8  1  0.235  0.503  0.868  1.0
  Bi  Bi9  1  0.735  0.497  0.632  1.0
  Bi  Bi10  1  0.265  0.503  0.368  1.0
  Bi  Bi11  1  0.765  0.497  0.132  1.0
  B  B12  1  0.793  0.174  0.918  1.0
  B  B13  1  0.707  0.174  0.418  1.0
  B  B14  1  0.293  0.826  0.582  1.0
  B  B15  1  0.207  0.826  0.082  1.0
  O  O16  1  0.718  0.044  0.835  1.0
  O  O17  1  0.782  0.044  0.335  1.0
  O  O18  1  0.066  0.226  0.923  1.0
  O  O19  1  0.434  0.226  0.423  1.0
  O  O20  1  0.886  0.250  0.497  1.0
  O  O21  1  0.350  0.385  0.690  1.0
  O  O22  1  0.614  0.250  0.997  1.0
  O  O23  1  0.150  0.385  0.190  1.0
  O  O24  1  0.850  0.615  0.810  1.0
  O  O25  1  0.386  0.750  0.003  1.0
  O  O26  1  0.650  0.615  0.310  1.0
  O  O27  1  0.114  0.750  0.503  1.0
  O  O28  1  0.566  0.774  0.577  1.0
  O  O29  1  0.934  0.774  0.077  1.0
  O  O30  1  0.218  0.956  0.665  1.0
  O  O31  1  0.282  0.956  0.165  1.0
[/CIF]
.