The crystal structure described by Li2Bi(BO3)2 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(1), one O(2), one O(3), and one O(5) atom to form distorted corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing LiO4 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. There are six 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 in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), 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(2), one B(2), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Li(2), one B(2), and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Li2Bi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   8.638
_cell_length_c   10.515
_cell_angle_alpha   63.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   520.172
_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  0.220  0.404  0.985  1.0
  Li  Li1  1  0.720  0.596  0.515  1.0
  Li  Li2  1  0.739  0.172  0.048  1.0
  Li  Li3  1  0.239  0.828  0.452  1.0
  Li  Li4  1  0.761  0.172  0.548  1.0
  Li  Li5  1  0.261  0.828  0.952  1.0
  Li  Li6  1  0.280  0.404  0.485  1.0
  Li  Li7  1  0.780  0.596  0.015  1.0
  Bi  Bi8  1  0.476  0.195  0.291  1.0
  Bi  Bi9  1  0.024  0.195  0.791  1.0
  Bi  Bi10  1  0.976  0.805  0.209  1.0
  Bi  Bi11  1  0.524  0.805  0.709  1.0
  B  B12  1  0.340  0.534  0.687  1.0
  B  B13  1  0.840  0.466  0.813  1.0
  B  B14  1  0.821  0.941  0.390  1.0
  B  B15  1  0.321  0.059  0.110  1.0
  B  B16  1  0.679  0.941  0.890  1.0
  B  B17  1  0.179  0.059  0.610  1.0
  B  B18  1  0.160  0.534  0.187  1.0
  B  B19  1  0.660  0.466  0.313  1.0
  O  O20  1  0.773  0.611  0.822  1.0
  O  O21  1  0.310  0.573  0.800  1.0
  O  O22  1  0.449  0.659  0.571  1.0
  O  O23  1  0.949  0.341  0.929  1.0
  O  O24  1  0.810  0.427  0.700  1.0
  O  O25  1  0.712  0.993  0.478  1.0
  O  O26  1  0.439  0.208  0.060  1.0
  O  O27  1  0.273  0.389  0.678  1.0
  O  O28  1  0.797  0.039  0.245  1.0
  O  O29  1  0.297  0.961  0.255  1.0
  O  O30  1  0.939  0.792  0.440  1.0
  O  O31  1  0.212  0.007  0.022  1.0
  O  O32  1  0.788  0.993  0.978  1.0
  O  O33  1  0.061  0.208  0.560  1.0
  O  O34  1  0.703  0.039  0.745  1.0
  O  O35  1  0.203  0.961  0.755  1.0
  O  O36  1  0.727  0.611  0.322  1.0
  O  O37  1  0.561  0.792  0.940  1.0
  O  O38  1  0.288  0.007  0.522  1.0
  O  O39  1  0.190  0.573  0.300  1.0
  O  O40  1  0.051  0.659  0.071  1.0
  O  O41  1  0.551  0.341  0.429  1.0
  O  O42  1  0.690  0.427  0.200  1.0
  O  O43  1  0.227  0.389  0.178  1.0
[/CIF]
.
The crystal structure described by Li2Bi(BO3)2 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(1), one O(2), one O(3), and one O(5) atom to form distorted corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing LiO4 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. There are six 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 in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), 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(2), one B(2), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Li(2), one B(2), and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Li2Bi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   8.638
_cell_length_c   10.515
_cell_angle_alpha   63.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   520.172
_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  0.220  0.404  0.985  1.0
  Li  Li1  1  0.720  0.596  0.515  1.0
  Li  Li2  1  0.739  0.172  0.048  1.0
  Li  Li3  1  0.239  0.828  0.452  1.0
  Li  Li4  1  0.761  0.172  0.548  1.0
  Li  Li5  1  0.261  0.828  0.952  1.0
  Li  Li6  1  0.280  0.404  0.485  1.0
  Li  Li7  1  0.780  0.596  0.015  1.0
  Bi  Bi8  1  0.476  0.195  0.291  1.0
  Bi  Bi9  1  0.024  0.195  0.791  1.0
  Bi  Bi10  1  0.976  0.805  0.209  1.0
  Bi  Bi11  1  0.524  0.805  0.709  1.0
  B  B12  1  0.340  0.534  0.687  1.0
  B  B13  1  0.840  0.466  0.813  1.0
  B  B14  1  0.821  0.941  0.390  1.0
  B  B15  1  0.321  0.059  0.110  1.0
  B  B16  1  0.679  0.941  0.890  1.0
  B  B17  1  0.179  0.059  0.610  1.0
  B  B18  1  0.160  0.534  0.187  1.0
  B  B19  1  0.660  0.466  0.313  1.0
  O  O20  1  0.773  0.611  0.822  1.0
  O  O21  1  0.310  0.573  0.800  1.0
  O  O22  1  0.449  0.659  0.571  1.0
  O  O23  1  0.949  0.341  0.929  1.0
  O  O24  1  0.810  0.427  0.700  1.0
  O  O25  1  0.712  0.993  0.478  1.0
  O  O26  1  0.439  0.208  0.060  1.0
  O  O27  1  0.273  0.389  0.678  1.0
  O  O28  1  0.797  0.039  0.245  1.0
  O  O29  1  0.297  0.961  0.255  1.0
  O  O30  1  0.939  0.792  0.440  1.0
  O  O31  1  0.212  0.007  0.022  1.0
  O  O32  1  0.788  0.993  0.978  1.0
  O  O33  1  0.061  0.208  0.560  1.0
  O  O34  1  0.703  0.039  0.745  1.0
  O  O35  1  0.203  0.961  0.755  1.0
  O  O36  1  0.727  0.611  0.322  1.0
  O  O37  1  0.561  0.792  0.940  1.0
  O  O38  1  0.288  0.007  0.522  1.0
  O  O39  1  0.190  0.573  0.300  1.0
  O  O40  1  0.051  0.659  0.071  1.0
  O  O41  1  0.551  0.341  0.429  1.0
  O  O42  1  0.690  0.427  0.200  1.0
  O  O43  1  0.227  0.389  0.178  1.0
[/CIF]
.