The material 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(1) atoms to form distorted corner-sharing LiO4 trigonal pyramids. 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 in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. 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 card [CIF]
data_LiBiB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.031
_cell_length_b   6.459
_cell_length_c   7.325
_cell_angle_alpha   69.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.726
_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  0.804  0.716  0.777  1.0
  Li  Li1  1  0.696  0.216  0.777  1.0
  Li  Li2  1  0.304  0.784  0.223  1.0
  Li  Li3  1  0.196  0.284  0.223  1.0
  Bi  Bi4  1  0.451  0.731  0.768  1.0
  Bi  Bi5  1  0.049  0.231  0.768  1.0
  Bi  Bi6  1  0.951  0.769  0.232  1.0
  Bi  Bi7  1  0.549  0.269  0.232  1.0
  B  B8  1  0.145  0.727  0.889  1.0
  B  B9  1  0.355  0.227  0.889  1.0
  B  B10  1  0.093  0.763  0.541  1.0
  B  B11  1  0.593  0.737  0.459  1.0
  B  B12  1  0.407  0.263  0.541  1.0
  B  B13  1  0.907  0.237  0.459  1.0
  B  B14  1  0.645  0.773  0.111  1.0
  B  B15  1  0.855  0.273  0.111  1.0
  O  O16  1  0.710  0.905  0.957  1.0
  O  O17  1  0.042  0.869  0.901  1.0
  O  O18  1  0.790  0.405  0.957  1.0
  O  O19  1  0.458  0.369  0.901  1.0
  O  O20  1  0.180  0.734  0.698  1.0
  O  O21  1  0.646  0.712  0.639  1.0
  O  O22  1  0.320  0.234  0.698  1.0
  O  O23  1  0.956  0.741  0.561  1.0
  O  O24  1  0.854  0.212  0.639  1.0
  O  O25  1  0.456  0.759  0.439  1.0
  O  O26  1  0.544  0.241  0.561  1.0
  O  O27  1  0.146  0.788  0.361  1.0
  O  O28  1  0.044  0.259  0.439  1.0
  O  O29  1  0.680  0.766  0.302  1.0
  O  O30  1  0.354  0.288  0.361  1.0
  O  O31  1  0.820  0.266  0.302  1.0
  O  O32  1  0.542  0.631  0.099  1.0
  O  O33  1  0.210  0.595  0.043  1.0
  O  O34  1  0.958  0.131  0.099  1.0
  O  O35  1  0.290  0.095  0.043  1.0
[/CIF]
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The material 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(1) atoms to form distorted corner-sharing LiO4 trigonal pyramids. 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 in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. 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 card [CIF]
data_LiBiB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.031
_cell_length_b   6.459
_cell_length_c   7.325
_cell_angle_alpha   69.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.726
_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  0.804  0.716  0.777  1.0
  Li  Li1  1  0.696  0.216  0.777  1.0
  Li  Li2  1  0.304  0.784  0.223  1.0
  Li  Li3  1  0.196  0.284  0.223  1.0
  Bi  Bi4  1  0.451  0.731  0.768  1.0
  Bi  Bi5  1  0.049  0.231  0.768  1.0
  Bi  Bi6  1  0.951  0.769  0.232  1.0
  Bi  Bi7  1  0.549  0.269  0.232  1.0
  B  B8  1  0.145  0.727  0.889  1.0
  B  B9  1  0.355  0.227  0.889  1.0
  B  B10  1  0.093  0.763  0.541  1.0
  B  B11  1  0.593  0.737  0.459  1.0
  B  B12  1  0.407  0.263  0.541  1.0
  B  B13  1  0.907  0.237  0.459  1.0
  B  B14  1  0.645  0.773  0.111  1.0
  B  B15  1  0.855  0.273  0.111  1.0
  O  O16  1  0.710  0.905  0.957  1.0
  O  O17  1  0.042  0.869  0.901  1.0
  O  O18  1  0.790  0.405  0.957  1.0
  O  O19  1  0.458  0.369  0.901  1.0
  O  O20  1  0.180  0.734  0.698  1.0
  O  O21  1  0.646  0.712  0.639  1.0
  O  O22  1  0.320  0.234  0.698  1.0
  O  O23  1  0.956  0.741  0.561  1.0
  O  O24  1  0.854  0.212  0.639  1.0
  O  O25  1  0.456  0.759  0.439  1.0
  O  O26  1  0.544  0.241  0.561  1.0
  O  O27  1  0.146  0.788  0.361  1.0
  O  O28  1  0.044  0.259  0.439  1.0
  O  O29  1  0.680  0.766  0.302  1.0
  O  O30  1  0.354  0.288  0.361  1.0
  O  O31  1  0.820  0.266  0.302  1.0
  O  O32  1  0.542  0.631  0.099  1.0
  O  O33  1  0.210  0.595  0.043  1.0
  O  O34  1  0.958  0.131  0.099  1.0
  O  O35  1  0.290  0.095  0.043  1.0
[/CIF]
.