The material described by LiB2O3 crystallizes in the tetragonal I4_1cd space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(3) atom. In the second B site, B(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one B(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one B(2) atom. is represented by the CIF file [CIF]
data_LiB2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.208
_cell_length_b   11.208
_cell_length_c   11.208
_cell_angle_alpha   107.212
_cell_angle_beta   107.212
_cell_angle_gamma   114.092
_symmetry_Int_Tables_number   1
_cell_volume   1078.456
_cell_formula_units_Z   8
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  0.636  0.157  0.989  1.0
  Li  Li1  1  0.136  0.147  0.479  1.0
  Li  Li2  1  0.407  0.918  0.021  1.0
  Li  Li3  1  0.397  0.418  0.511  1.0
  Li  Li4  1  0.168  0.647  0.011  1.0
  Li  Li5  1  0.668  0.657  0.521  1.0
  Li  Li6  1  0.897  0.386  0.979  1.0
  Li  Li7  1  0.907  0.886  0.489  1.0
  B  B8  1  0.178  0.908  0.101  1.0
  B  B9  1  0.678  0.577  0.269  1.0
  B  B10  1  0.158  0.557  0.231  1.0
  B  B11  1  0.827  0.057  0.399  1.0
  B  B12  1  0.807  0.077  0.899  1.0
  B  B13  1  0.307  0.408  0.731  1.0
  B  B14  1  0.327  0.928  0.769  1.0
  B  B15  1  0.658  0.428  0.601  1.0
  B  B16  1  0.777  0.210  0.286  1.0
  B  B17  1  0.277  0.990  0.566  1.0
  B  B18  1  0.460  0.674  0.934  1.0
  B  B19  1  0.240  0.174  0.214  1.0
  B  B20  1  0.924  0.490  0.714  1.0
  B  B21  1  0.424  0.710  0.434  1.0
  B  B22  1  0.740  0.527  0.066  1.0
  B  B23  1  0.960  0.027  0.786  1.0
  O  O24  1  0.255  0.856  0.073  1.0
  O  O25  1  0.755  0.682  0.399  1.0
  O  O26  1  0.106  0.532  0.101  1.0
  O  O27  1  0.932  0.032  0.427  1.0
  O  O28  1  0.782  0.182  0.927  1.0
  O  O29  1  0.282  0.356  0.601  1.0
  O  O30  1  0.432  0.005  0.899  1.0
  O  O31  1  0.606  0.505  0.573  1.0
  O  O32  1  0.541  0.732  0.518  1.0
  O  O33  1  0.041  0.522  0.809  1.0
  O  O34  1  0.982  0.964  0.691  1.0
  O  O35  1  0.772  0.464  0.982  1.0
  O  O36  1  0.214  0.022  0.482  1.0
  O  O37  1  0.714  0.232  0.191  1.0
  O  O38  1  0.272  0.291  0.309  1.0
  O  O39  1  0.482  0.791  0.018  1.0
  O  O40  1  0.205  0.051  0.115  1.0
  O  O41  1  0.705  0.590  0.154  1.0
  O  O42  1  0.301  0.686  0.346  1.0
  O  O43  1  0.840  0.186  0.385  1.0
  O  O44  1  0.936  0.090  0.885  1.0
  O  O45  1  0.436  0.551  0.846  1.0
  O  O46  1  0.340  0.955  0.654  1.0
  O  O47  1  0.801  0.455  0.615  1.0
[/CIF]
.
The material described by LiB2O3 crystallizes in the tetragonal I4_1cd space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(3) atom. In the second B site, B(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one B(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one B(2) atom. is represented by the CIF file [CIF]
data_LiB2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.208
_cell_length_b   11.208
_cell_length_c   11.208
_cell_angle_alpha   107.212
_cell_angle_beta   107.212
_cell_angle_gamma   114.092
_symmetry_Int_Tables_number   1
_cell_volume   1078.456
_cell_formula_units_Z   8
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  0.636  0.157  0.989  1.0
  Li  Li1  1  0.136  0.147  0.479  1.0
  Li  Li2  1  0.407  0.918  0.021  1.0
  Li  Li3  1  0.397  0.418  0.511  1.0
  Li  Li4  1  0.168  0.647  0.011  1.0
  Li  Li5  1  0.668  0.657  0.521  1.0
  Li  Li6  1  0.897  0.386  0.979  1.0
  Li  Li7  1  0.907  0.886  0.489  1.0
  B  B8  1  0.178  0.908  0.101  1.0
  B  B9  1  0.678  0.577  0.269  1.0
  B  B10  1  0.158  0.557  0.231  1.0
  B  B11  1  0.827  0.057  0.399  1.0
  B  B12  1  0.807  0.077  0.899  1.0
  B  B13  1  0.307  0.408  0.731  1.0
  B  B14  1  0.327  0.928  0.769  1.0
  B  B15  1  0.658  0.428  0.601  1.0
  B  B16  1  0.777  0.210  0.286  1.0
  B  B17  1  0.277  0.990  0.566  1.0
  B  B18  1  0.460  0.674  0.934  1.0
  B  B19  1  0.240  0.174  0.214  1.0
  B  B20  1  0.924  0.490  0.714  1.0
  B  B21  1  0.424  0.710  0.434  1.0
  B  B22  1  0.740  0.527  0.066  1.0
  B  B23  1  0.960  0.027  0.786  1.0
  O  O24  1  0.255  0.856  0.073  1.0
  O  O25  1  0.755  0.682  0.399  1.0
  O  O26  1  0.106  0.532  0.101  1.0
  O  O27  1  0.932  0.032  0.427  1.0
  O  O28  1  0.782  0.182  0.927  1.0
  O  O29  1  0.282  0.356  0.601  1.0
  O  O30  1  0.432  0.005  0.899  1.0
  O  O31  1  0.606  0.505  0.573  1.0
  O  O32  1  0.541  0.732  0.518  1.0
  O  O33  1  0.041  0.522  0.809  1.0
  O  O34  1  0.982  0.964  0.691  1.0
  O  O35  1  0.772  0.464  0.982  1.0
  O  O36  1  0.214  0.022  0.482  1.0
  O  O37  1  0.714  0.232  0.191  1.0
  O  O38  1  0.272  0.291  0.309  1.0
  O  O39  1  0.482  0.791  0.018  1.0
  O  O40  1  0.205  0.051  0.115  1.0
  O  O41  1  0.705  0.590  0.154  1.0
  O  O42  1  0.301  0.686  0.346  1.0
  O  O43  1  0.840  0.186  0.385  1.0
  O  O44  1  0.936  0.090  0.885  1.0
  O  O45  1  0.436  0.551  0.846  1.0
  O  O46  1  0.340  0.955  0.654  1.0
  O  O47  1  0.801  0.455  0.615  1.0
[/CIF]
.