The structure described by Li2B3O4F3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one B(1)O3F tetrahedra and corners with three equivalent B(2)O2F2 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(1), and one F(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one F(3) atom to form BO3F tetrahedra that share  a cornercorner with one Li(1)O2F2 tetrahedra and  a cornercorner with one B(2)O2F2 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form BO2F2 tetrahedra that share  a cornercorner with one B(1)O3F tetrahedra and corners with three equivalent Li(1)O2F2 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(3) atom. In the second O site, O(1) is bonded to two equivalent Li(2), one B(1), and one B(2) atom to form distorted corner-sharing OLi2B2 tetrahedra. In the third O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(3) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one B(1), and one B(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one B(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one B(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one B(1) atom. is represented by the CIF card [CIF]
data_Li2B3O4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   8.740
_cell_length_c   12.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.486
_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  0.587  0.145  0.103  1.0
  Li  Li1  1  0.913  0.855  0.603  1.0
  Li  Li2  1  0.087  0.355  0.897  1.0
  Li  Li3  1  0.413  0.645  0.397  1.0
  Li  Li4  1  0.331  0.704  0.930  1.0
  Li  Li5  1  0.169  0.296  0.430  1.0
  Li  Li6  1  0.831  0.796  0.070  1.0
  Li  Li7  1  0.669  0.204  0.570  1.0
  B  B8  1  0.915  0.818  0.840  1.0
  B  B9  1  0.585  0.182  0.340  1.0
  B  B10  1  0.415  0.682  0.160  1.0
  B  B11  1  0.085  0.318  0.660  1.0
  B  B12  1  0.097  0.031  0.962  1.0
  B  B13  1  0.403  0.969  0.462  1.0
  B  B14  1  0.597  0.469  0.038  1.0
  B  B15  1  0.903  0.531  0.538  1.0
  B  B16  1  0.981  0.078  0.769  1.0
  B  B17  1  0.519  0.922  0.269  1.0
  B  B18  1  0.481  0.422  0.231  1.0
  B  B19  1  0.019  0.578  0.731  1.0
  O  O20  1  0.035  0.873  0.942  1.0
  O  O21  1  0.465  0.127  0.442  1.0
  O  O22  1  0.535  0.627  0.058  1.0
  O  O23  1  0.965  0.373  0.558  1.0
  O  O24  1  0.042  0.134  0.871  1.0
  O  O25  1  0.458  0.866  0.371  1.0
  O  O26  1  0.542  0.366  0.129  1.0
  O  O27  1  0.958  0.634  0.629  1.0
  O  O28  1  0.942  0.926  0.751  1.0
  O  O29  1  0.558  0.074  0.251  1.0
  O  O30  1  0.442  0.574  0.249  1.0
  O  O31  1  0.058  0.426  0.749  1.0
  O  O32  1  0.954  0.172  0.681  1.0
  O  O33  1  0.546  0.828  0.181  1.0
  O  O34  1  0.454  0.328  0.319  1.0
  O  O35  1  0.046  0.672  0.819  1.0
  F  F36  1  0.940  0.081  0.056  1.0
  F  F37  1  0.560  0.919  0.556  1.0
  F  F38  1  0.440  0.419  0.944  1.0
  F  F39  1  0.060  0.581  0.444  1.0
  F  F40  1  0.382  0.049  0.994  1.0
  F  F41  1  0.118  0.951  0.494  1.0
  F  F42  1  0.882  0.451  0.006  1.0
  F  F43  1  0.618  0.549  0.506  1.0
  F  F44  1  0.619  0.791  0.855  1.0
  F  F45  1  0.881  0.209  0.355  1.0
  F  F46  1  0.119  0.709  0.145  1.0
  F  F47  1  0.381  0.291  0.645  1.0
[/CIF]
.
The structure described by Li2B3O4F3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one F(1), and one F(2) atom to form LiO2F2 tetrahedra that share  a cornercorner with one B(1)O3F tetrahedra and corners with three equivalent B(2)O2F2 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(1), and one F(3) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(3), one O(4), and one F(3) atom to form BO3F tetrahedra that share  a cornercorner with one Li(1)O2F2 tetrahedra and  a cornercorner with one B(2)O2F2 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(2), one F(1), and one F(2) atom to form BO2F2 tetrahedra that share  a cornercorner with one B(1)O3F tetrahedra and corners with three equivalent Li(1)O2F2 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(3) atom. In the second O site, O(1) is bonded to two equivalent Li(2), one B(1), and one B(2) atom to form distorted corner-sharing OLi2B2 tetrahedra. In the third O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(3) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one B(1), and one B(3) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one B(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one B(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one B(1) atom. is represented by the CIF card [CIF]
data_Li2B3O4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   8.740
_cell_length_c   12.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.486
_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  0.587  0.145  0.103  1.0
  Li  Li1  1  0.913  0.855  0.603  1.0
  Li  Li2  1  0.087  0.355  0.897  1.0
  Li  Li3  1  0.413  0.645  0.397  1.0
  Li  Li4  1  0.331  0.704  0.930  1.0
  Li  Li5  1  0.169  0.296  0.430  1.0
  Li  Li6  1  0.831  0.796  0.070  1.0
  Li  Li7  1  0.669  0.204  0.570  1.0
  B  B8  1  0.915  0.818  0.840  1.0
  B  B9  1  0.585  0.182  0.340  1.0
  B  B10  1  0.415  0.682  0.160  1.0
  B  B11  1  0.085  0.318  0.660  1.0
  B  B12  1  0.097  0.031  0.962  1.0
  B  B13  1  0.403  0.969  0.462  1.0
  B  B14  1  0.597  0.469  0.038  1.0
  B  B15  1  0.903  0.531  0.538  1.0
  B  B16  1  0.981  0.078  0.769  1.0
  B  B17  1  0.519  0.922  0.269  1.0
  B  B18  1  0.481  0.422  0.231  1.0
  B  B19  1  0.019  0.578  0.731  1.0
  O  O20  1  0.035  0.873  0.942  1.0
  O  O21  1  0.465  0.127  0.442  1.0
  O  O22  1  0.535  0.627  0.058  1.0
  O  O23  1  0.965  0.373  0.558  1.0
  O  O24  1  0.042  0.134  0.871  1.0
  O  O25  1  0.458  0.866  0.371  1.0
  O  O26  1  0.542  0.366  0.129  1.0
  O  O27  1  0.958  0.634  0.629  1.0
  O  O28  1  0.942  0.926  0.751  1.0
  O  O29  1  0.558  0.074  0.251  1.0
  O  O30  1  0.442  0.574  0.249  1.0
  O  O31  1  0.058  0.426  0.749  1.0
  O  O32  1  0.954  0.172  0.681  1.0
  O  O33  1  0.546  0.828  0.181  1.0
  O  O34  1  0.454  0.328  0.319  1.0
  O  O35  1  0.046  0.672  0.819  1.0
  F  F36  1  0.940  0.081  0.056  1.0
  F  F37  1  0.560  0.919  0.556  1.0
  F  F38  1  0.440  0.419  0.944  1.0
  F  F39  1  0.060  0.581  0.444  1.0
  F  F40  1  0.382  0.049  0.994  1.0
  F  F41  1  0.118  0.951  0.494  1.0
  F  F42  1  0.882  0.451  0.006  1.0
  F  F43  1  0.618  0.549  0.506  1.0
  F  F44  1  0.619  0.791  0.855  1.0
  F  F45  1  0.881  0.209  0.355  1.0
  F  F46  1  0.119  0.709  0.145  1.0
  F  F47  1  0.381  0.291  0.645  1.0
[/CIF]
.