The structure described by LiB2O3 crystallizes in the tetragonal I4_1cd space group. The structure consists of a LiB2O3 framework. Li(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. 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 2-coordinate 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 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar 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 B(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiB2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.318
_cell_length_b   10.318
_cell_length_c   10.318
_cell_angle_alpha   109.051
_cell_angle_beta   109.682
_cell_angle_gamma   109.682
_symmetry_Int_Tables_number   1
_cell_volume   845.515
_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  0.029  0.655  0.155  1.0
  Li  Li1  1  0.501  0.155  0.127  1.0
  Li  Li2  1  0.001  0.377  0.905  1.0
  Li  Li3  1  0.529  0.405  0.405  1.0
  Li  Li4  1  0.971  0.126  0.627  1.0
  Li  Li5  1  0.499  0.626  0.655  1.0
  Li  Li6  1  0.999  0.905  0.376  1.0
  Li  Li7  1  0.471  0.877  0.876  1.0
  B  B8  1  0.721  0.187  0.642  1.0
  B  B9  1  0.546  0.687  0.966  1.0
  B  B10  1  0.046  0.216  0.437  1.0
  B  B11  1  0.221  0.892  0.937  1.0
  B  B12  1  0.279  0.920  0.466  1.0
  B  B13  1  0.454  0.420  0.142  1.0
  B  B14  1  0.954  0.392  0.170  1.0
  B  B15  1  0.779  0.716  0.670  1.0
  B  B16  1  0.529  0.006  0.706  1.0
  B  B17  1  0.300  0.506  0.978  1.0
  B  B18  1  0.800  0.228  0.256  1.0
  B  B19  1  0.029  0.956  0.756  1.0
  B  B20  1  0.471  0.177  0.478  1.0
  B  B21  1  0.700  0.677  0.206  1.0
  B  B22  1  0.200  0.456  0.427  1.0
  B  B23  1  0.971  0.728  0.927  1.0
  O  O24  1  0.872  0.236  0.686  1.0
  O  O25  1  0.550  0.736  0.863  1.0
  O  O26  1  0.050  0.113  0.486  1.0
  O  O27  1  0.372  0.936  0.986  1.0
  O  O28  1  0.128  0.814  0.363  1.0
  O  O29  1  0.450  0.314  0.186  1.0
  O  O30  1  0.950  0.436  0.064  1.0
  O  O31  1  0.628  0.613  0.564  1.0
  O  O32  1  0.651  0.116  0.715  1.0
  O  O33  1  0.401  0.616  0.965  1.0
  O  O34  1  0.901  0.215  0.366  1.0
  O  O35  1  0.151  0.965  0.866  1.0
  O  O36  1  0.349  0.064  0.465  1.0
  O  O37  1  0.599  0.564  0.215  1.0
  O  O38  1  0.099  0.465  0.314  1.0
  O  O39  1  0.849  0.715  0.814  1.0
  O  O40  1  0.625  0.215  0.530  1.0
  O  O41  1  0.685  0.715  0.090  1.0
  O  O42  1  0.185  0.340  0.465  1.0
  O  O43  1  0.125  0.780  0.965  1.0
  O  O44  1  0.375  0.905  0.590  1.0
  O  O45  1  0.315  0.405  0.030  1.0
  O  O46  1  0.815  0.280  0.155  1.0
  O  O47  1  0.875  0.840  0.655  1.0
[/CIF]
.
The structure described by LiB2O3 crystallizes in the tetragonal I4_1cd space group. The structure consists of a LiB2O3 framework. Li(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. 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 2-coordinate 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 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar 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 B(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiB2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.318
_cell_length_b   10.318
_cell_length_c   10.318
_cell_angle_alpha   109.051
_cell_angle_beta   109.682
_cell_angle_gamma   109.682
_symmetry_Int_Tables_number   1
_cell_volume   845.515
_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  0.029  0.655  0.155  1.0
  Li  Li1  1  0.501  0.155  0.127  1.0
  Li  Li2  1  0.001  0.377  0.905  1.0
  Li  Li3  1  0.529  0.405  0.405  1.0
  Li  Li4  1  0.971  0.126  0.627  1.0
  Li  Li5  1  0.499  0.626  0.655  1.0
  Li  Li6  1  0.999  0.905  0.376  1.0
  Li  Li7  1  0.471  0.877  0.876  1.0
  B  B8  1  0.721  0.187  0.642  1.0
  B  B9  1  0.546  0.687  0.966  1.0
  B  B10  1  0.046  0.216  0.437  1.0
  B  B11  1  0.221  0.892  0.937  1.0
  B  B12  1  0.279  0.920  0.466  1.0
  B  B13  1  0.454  0.420  0.142  1.0
  B  B14  1  0.954  0.392  0.170  1.0
  B  B15  1  0.779  0.716  0.670  1.0
  B  B16  1  0.529  0.006  0.706  1.0
  B  B17  1  0.300  0.506  0.978  1.0
  B  B18  1  0.800  0.228  0.256  1.0
  B  B19  1  0.029  0.956  0.756  1.0
  B  B20  1  0.471  0.177  0.478  1.0
  B  B21  1  0.700  0.677  0.206  1.0
  B  B22  1  0.200  0.456  0.427  1.0
  B  B23  1  0.971  0.728  0.927  1.0
  O  O24  1  0.872  0.236  0.686  1.0
  O  O25  1  0.550  0.736  0.863  1.0
  O  O26  1  0.050  0.113  0.486  1.0
  O  O27  1  0.372  0.936  0.986  1.0
  O  O28  1  0.128  0.814  0.363  1.0
  O  O29  1  0.450  0.314  0.186  1.0
  O  O30  1  0.950  0.436  0.064  1.0
  O  O31  1  0.628  0.613  0.564  1.0
  O  O32  1  0.651  0.116  0.715  1.0
  O  O33  1  0.401  0.616  0.965  1.0
  O  O34  1  0.901  0.215  0.366  1.0
  O  O35  1  0.151  0.965  0.866  1.0
  O  O36  1  0.349  0.064  0.465  1.0
  O  O37  1  0.599  0.564  0.215  1.0
  O  O38  1  0.099  0.465  0.314  1.0
  O  O39  1  0.849  0.715  0.814  1.0
  O  O40  1  0.625  0.215  0.530  1.0
  O  O41  1  0.685  0.715  0.090  1.0
  O  O42  1  0.185  0.340  0.465  1.0
  O  O43  1  0.125  0.780  0.965  1.0
  O  O44  1  0.375  0.905  0.590  1.0
  O  O45  1  0.315  0.405  0.030  1.0
  O  O46  1  0.815  0.280  0.155  1.0
  O  O47  1  0.875  0.840  0.655  1.0
[/CIF]
.