The material described by Li2B4O7 crystallizes in the tetragonal I4_1cd space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) 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 trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one B(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Li2B4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.501
_cell_length_b   9.501
_cell_length_c   9.501
_cell_angle_alpha   112.403
_cell_angle_beta   112.403
_cell_angle_gamma   103.755
_symmetry_Int_Tables_number   1
_cell_volume   655.314
_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  0.526  0.389  0.505  1.0
  Li  Li1  1  0.771  0.776  0.637  1.0
  Li  Li2  1  0.885  0.021  0.495  1.0
  Li  Li3  1  0.139  0.135  0.363  1.0
  Li  Li4  1  0.026  0.521  0.137  1.0
  Li  Li5  1  0.385  0.889  0.863  1.0
  Li  Li6  1  0.271  0.635  0.995  1.0
  Li  Li7  1  0.639  0.276  0.005  1.0
  B  B8  1  0.682  0.705  0.270  1.0
  B  B9  1  0.807  0.436  0.513  1.0
  B  B10  1  0.043  0.057  0.870  1.0
  B  B11  1  0.936  0.205  0.023  1.0
  B  B12  1  0.307  0.793  0.370  1.0
  B  B13  1  0.455  0.686  0.523  1.0
  B  B14  1  0.423  0.936  0.630  1.0
  B  B15  1  0.543  0.673  0.987  1.0
  B  B16  1  0.186  0.173  0.130  1.0
  B  B17  1  0.436  0.412  0.730  1.0
  B  B18  1  0.923  0.293  0.487  1.0
  B  B19  1  0.686  0.557  0.013  1.0
  B  B20  1  0.955  0.432  0.770  1.0
  B  B21  1  0.662  0.186  0.230  1.0
  B  B22  1  0.162  0.932  0.477  1.0
  B  B23  1  0.182  0.912  0.977  1.0
  O  O24  1  0.899  0.077  0.850  1.0
  O  O25  1  0.150  0.794  0.323  1.0
  O  O26  1  0.327  0.649  0.350  1.0
  O  O27  1  0.650  0.327  0.356  1.0
  O  O28  1  0.752  0.798  0.442  1.0
  O  O29  1  0.577  0.400  0.856  1.0
  O  O30  1  0.701  0.701  0.000  1.0
  O  O31  1  0.252  0.811  0.955  1.0
  O  O32  1  0.048  0.502  0.942  1.0
  O  O33  1  0.544  0.720  0.144  1.0
  O  O34  1  0.727  0.577  0.178  1.0
  O  O35  1  0.470  0.827  0.677  1.0
  O  O36  1  0.799  0.149  0.322  1.0
  O  O37  1  0.561  0.106  0.058  1.0
  O  O38  1  0.044  0.900  0.823  1.0
  O  O39  1  0.061  0.002  0.455  1.0
  O  O40  1  0.451  0.951  0.500  1.0
  O  O41  1  0.356  0.311  0.558  1.0
  O  O42  1  0.201  0.201  0.000  1.0
  O  O43  1  0.827  0.477  0.678  1.0
  O  O44  1  0.970  0.294  0.644  1.0
  O  O45  1  0.856  0.298  0.045  1.0
  O  O46  1  0.227  0.049  0.150  1.0
  O  O47  1  0.299  0.977  0.650  1.0
  O  O48  1  0.548  0.606  0.545  1.0
  O  O49  1  0.077  0.220  0.177  1.0
  O  O50  1  0.951  0.451  0.500  1.0
  O  O51  1  0.399  0.549  0.822  1.0
[/CIF]
.
The material described by Li2B4O7 crystallizes in the tetragonal I4_1cd space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) 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 trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one B(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to two equivalent B(2) atoms. is represented by the CIF card [CIF]
data_Li2B4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.501
_cell_length_b   9.501
_cell_length_c   9.501
_cell_angle_alpha   112.403
_cell_angle_beta   112.403
_cell_angle_gamma   103.755
_symmetry_Int_Tables_number   1
_cell_volume   655.314
_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  0.526  0.389  0.505  1.0
  Li  Li1  1  0.771  0.776  0.637  1.0
  Li  Li2  1  0.885  0.021  0.495  1.0
  Li  Li3  1  0.139  0.135  0.363  1.0
  Li  Li4  1  0.026  0.521  0.137  1.0
  Li  Li5  1  0.385  0.889  0.863  1.0
  Li  Li6  1  0.271  0.635  0.995  1.0
  Li  Li7  1  0.639  0.276  0.005  1.0
  B  B8  1  0.682  0.705  0.270  1.0
  B  B9  1  0.807  0.436  0.513  1.0
  B  B10  1  0.043  0.057  0.870  1.0
  B  B11  1  0.936  0.205  0.023  1.0
  B  B12  1  0.307  0.793  0.370  1.0
  B  B13  1  0.455  0.686  0.523  1.0
  B  B14  1  0.423  0.936  0.630  1.0
  B  B15  1  0.543  0.673  0.987  1.0
  B  B16  1  0.186  0.173  0.130  1.0
  B  B17  1  0.436  0.412  0.730  1.0
  B  B18  1  0.923  0.293  0.487  1.0
  B  B19  1  0.686  0.557  0.013  1.0
  B  B20  1  0.955  0.432  0.770  1.0
  B  B21  1  0.662  0.186  0.230  1.0
  B  B22  1  0.162  0.932  0.477  1.0
  B  B23  1  0.182  0.912  0.977  1.0
  O  O24  1  0.899  0.077  0.850  1.0
  O  O25  1  0.150  0.794  0.323  1.0
  O  O26  1  0.327  0.649  0.350  1.0
  O  O27  1  0.650  0.327  0.356  1.0
  O  O28  1  0.752  0.798  0.442  1.0
  O  O29  1  0.577  0.400  0.856  1.0
  O  O30  1  0.701  0.701  0.000  1.0
  O  O31  1  0.252  0.811  0.955  1.0
  O  O32  1  0.048  0.502  0.942  1.0
  O  O33  1  0.544  0.720  0.144  1.0
  O  O34  1  0.727  0.577  0.178  1.0
  O  O35  1  0.470  0.827  0.677  1.0
  O  O36  1  0.799  0.149  0.322  1.0
  O  O37  1  0.561  0.106  0.058  1.0
  O  O38  1  0.044  0.900  0.823  1.0
  O  O39  1  0.061  0.002  0.455  1.0
  O  O40  1  0.451  0.951  0.500  1.0
  O  O41  1  0.356  0.311  0.558  1.0
  O  O42  1  0.201  0.201  0.000  1.0
  O  O43  1  0.827  0.477  0.678  1.0
  O  O44  1  0.970  0.294  0.644  1.0
  O  O45  1  0.856  0.298  0.045  1.0
  O  O46  1  0.227  0.049  0.150  1.0
  O  O47  1  0.299  0.977  0.650  1.0
  O  O48  1  0.548  0.606  0.545  1.0
  O  O49  1  0.077  0.220  0.177  1.0
  O  O50  1  0.951  0.451  0.500  1.0
  O  O51  1  0.399  0.549  0.822  1.0
[/CIF]
.