The structure described by Li4B2O5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent B(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. 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 five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(4), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Li4B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.879
_cell_length_b   7.021
_cell_length_c   7.065
_cell_angle_alpha   60.475
_cell_angle_beta   70.174
_cell_angle_gamma   75.039
_symmetry_Int_Tables_number   1
_cell_volume   196.884
_cell_formula_units_Z   2
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  0.973  0.424  0.205  1.0
  Li  Li1  1  0.503  0.690  0.972  1.0
  Li  Li2  1  0.790  0.337  0.656  1.0
  Li  Li3  1  0.029  0.031  0.306  1.0
  Li  Li4  1  0.971  0.969  0.694  1.0
  Li  Li5  1  0.210  0.663  0.344  1.0
  Li  Li6  1  0.497  0.310  0.028  1.0
  Li  Li7  1  0.027  0.576  0.795  1.0
  B  B8  1  0.111  0.143  0.919  1.0
  B  B9  1  0.549  0.724  0.531  1.0
  B  B10  1  0.451  0.276  0.469  1.0
  B  B11  1  0.889  0.857  0.081  1.0
  O  O12  1  0.735  0.195  0.485  1.0
  O  O13  1  0.787  0.751  0.339  1.0
  O  O14  1  0.130  0.276  0.010  1.0
  O  O15  1  0.627  0.592  0.733  1.0
  O  O16  1  0.793  0.098  0.963  1.0
  O  O17  1  0.207  0.902  0.037  1.0
  O  O18  1  0.373  0.408  0.267  1.0
  O  O19  1  0.870  0.724  0.990  1.0
  O  O20  1  0.213  0.249  0.661  1.0
  O  O21  1  0.265  0.805  0.515  1.0
[/CIF]
.
The structure described by Li4B2O5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent B(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent B(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form BO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one B(1)O4 tetrahedra. 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 five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(4), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Li(4), and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Li4B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.879
_cell_length_b   7.021
_cell_length_c   7.065
_cell_angle_alpha   60.475
_cell_angle_beta   70.174
_cell_angle_gamma   75.039
_symmetry_Int_Tables_number   1
_cell_volume   196.884
_cell_formula_units_Z   2
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  0.973  0.424  0.205  1.0
  Li  Li1  1  0.503  0.690  0.972  1.0
  Li  Li2  1  0.790  0.337  0.656  1.0
  Li  Li3  1  0.029  0.031  0.306  1.0
  Li  Li4  1  0.971  0.969  0.694  1.0
  Li  Li5  1  0.210  0.663  0.344  1.0
  Li  Li6  1  0.497  0.310  0.028  1.0
  Li  Li7  1  0.027  0.576  0.795  1.0
  B  B8  1  0.111  0.143  0.919  1.0
  B  B9  1  0.549  0.724  0.531  1.0
  B  B10  1  0.451  0.276  0.469  1.0
  B  B11  1  0.889  0.857  0.081  1.0
  O  O12  1  0.735  0.195  0.485  1.0
  O  O13  1  0.787  0.751  0.339  1.0
  O  O14  1  0.130  0.276  0.010  1.0
  O  O15  1  0.627  0.592  0.733  1.0
  O  O16  1  0.793  0.098  0.963  1.0
  O  O17  1  0.207  0.902  0.037  1.0
  O  O18  1  0.373  0.408  0.267  1.0
  O  O19  1  0.870  0.724  0.990  1.0
  O  O20  1  0.213  0.249  0.661  1.0
  O  O21  1  0.265  0.805  0.515  1.0
[/CIF]
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