The crystal structure described by LiNaB4O7 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and corners with three equivalent B(1)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one B(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one B(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Na(1), one Li(1), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one B(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(1) atoms. In the eighth O site, O(8) is bonded in a distorted water-like geometry to two equivalent Na(1) and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.806
_cell_length_b   8.851
_cell_length_c   8.513
_cell_angle_alpha   68.735
_cell_angle_beta   57.261
_cell_angle_gamma   54.003
_symmetry_Int_Tables_number   1
_cell_volume   501.727
_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
  Na  Na0  1  0.737  0.283  0.965  1.0
  Na  Na1  1  0.014  0.965  0.283  1.0
  Na  Na2  1  0.967  0.513  0.236  1.0
  Na  Na3  1  0.285  0.236  0.513  1.0
  Li  Li4  1  0.504  0.766  0.491  1.0
  Li  Li5  1  0.759  0.011  0.746  1.0
  Li  Li6  1  0.484  0.746  0.011  1.0
  Li  Li7  1  0.239  0.491  0.766  1.0
  B  B8  1  0.229  0.716  0.942  1.0
  B  B9  1  0.534  0.021  0.137  1.0
  B  B10  1  0.308  0.137  0.021  1.0
  B  B11  1  0.789  0.558  0.640  1.0
  B  B12  1  0.013  0.640  0.558  1.0
  B  B13  1  0.113  0.942  0.716  1.0
  B  B14  1  0.230  0.030  0.361  1.0
  B  B15  1  0.704  0.887  0.545  1.0
  B  B16  1  0.865  0.545  0.887  1.0
  B  B17  1  0.378  0.361  0.030  1.0
  B  B18  1  0.220  0.020  0.872  1.0
  B  B19  1  0.705  0.385  0.546  1.0
  B  B20  1  0.889  0.872  0.020  1.0
  B  B21  1  0.363  0.546  0.385  1.0
  B  B22  1  0.692  0.461  0.237  1.0
  B  B23  1  0.610  0.237  0.461  1.0
  O  O24  1  0.141  0.074  0.753  1.0
  O  O25  1  0.672  0.240  0.590  1.0
  O  O26  1  0.739  0.566  0.839  1.0
  O  O27  1  0.497  0.218  0.109  1.0
  O  O28  1  0.400  0.994  0.333  1.0
  O  O29  1  0.838  0.493  0.068  1.0
  O  O30  1  0.917  0.977  0.850  1.0
  O  O31  1  0.411  0.394  0.511  1.0
  O  O32  1  0.264  0.134  0.884  1.0
  O  O33  1  0.010  0.578  0.751  1.0
  O  O34  1  0.253  0.747  0.747  1.0
  O  O35  1  0.273  0.333  0.994  1.0
  O  O36  1  0.503  0.997  0.997  1.0
  O  O37  1  0.660  0.751  0.578  1.0
  O  O38  1  0.032  0.753  0.074  1.0
  O  O39  1  0.499  0.590  0.240  1.0
  O  O40  1  0.733  0.267  0.267  1.0
  O  O41  1  0.182  0.649  0.412  1.0
  O  O42  1  0.601  0.068  0.493  1.0
  O  O43  1  0.718  0.884  0.134  1.0
  O  O44  1  0.116  0.986  0.532  1.0
  O  O45  1  0.983  0.517  0.517  1.0
  O  O46  1  0.256  0.850  0.977  1.0
  O  O47  1  0.366  0.532  0.986  1.0
  O  O48  1  0.176  0.109  0.218  1.0
  O  O49  1  0.684  0.511  0.394  1.0
  O  O50  1  0.757  0.412  0.649  1.0
  O  O51  1  0.856  0.839  0.566  1.0
[/CIF]
.
The crystal structure described by LiNaB4O7 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and corners with three equivalent B(1)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one B(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one B(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Na(1), one Li(1), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one B(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(1) atoms. In the eighth O site, O(8) is bonded in a distorted water-like geometry to two equivalent Na(1) and two equivalent B(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.806
_cell_length_b   8.851
_cell_length_c   8.513
_cell_angle_alpha   68.735
_cell_angle_beta   57.261
_cell_angle_gamma   54.003
_symmetry_Int_Tables_number   1
_cell_volume   501.727
_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
  Na  Na0  1  0.737  0.283  0.965  1.0
  Na  Na1  1  0.014  0.965  0.283  1.0
  Na  Na2  1  0.967  0.513  0.236  1.0
  Na  Na3  1  0.285  0.236  0.513  1.0
  Li  Li4  1  0.504  0.766  0.491  1.0
  Li  Li5  1  0.759  0.011  0.746  1.0
  Li  Li6  1  0.484  0.746  0.011  1.0
  Li  Li7  1  0.239  0.491  0.766  1.0
  B  B8  1  0.229  0.716  0.942  1.0
  B  B9  1  0.534  0.021  0.137  1.0
  B  B10  1  0.308  0.137  0.021  1.0
  B  B11  1  0.789  0.558  0.640  1.0
  B  B12  1  0.013  0.640  0.558  1.0
  B  B13  1  0.113  0.942  0.716  1.0
  B  B14  1  0.230  0.030  0.361  1.0
  B  B15  1  0.704  0.887  0.545  1.0
  B  B16  1  0.865  0.545  0.887  1.0
  B  B17  1  0.378  0.361  0.030  1.0
  B  B18  1  0.220  0.020  0.872  1.0
  B  B19  1  0.705  0.385  0.546  1.0
  B  B20  1  0.889  0.872  0.020  1.0
  B  B21  1  0.363  0.546  0.385  1.0
  B  B22  1  0.692  0.461  0.237  1.0
  B  B23  1  0.610  0.237  0.461  1.0
  O  O24  1  0.141  0.074  0.753  1.0
  O  O25  1  0.672  0.240  0.590  1.0
  O  O26  1  0.739  0.566  0.839  1.0
  O  O27  1  0.497  0.218  0.109  1.0
  O  O28  1  0.400  0.994  0.333  1.0
  O  O29  1  0.838  0.493  0.068  1.0
  O  O30  1  0.917  0.977  0.850  1.0
  O  O31  1  0.411  0.394  0.511  1.0
  O  O32  1  0.264  0.134  0.884  1.0
  O  O33  1  0.010  0.578  0.751  1.0
  O  O34  1  0.253  0.747  0.747  1.0
  O  O35  1  0.273  0.333  0.994  1.0
  O  O36  1  0.503  0.997  0.997  1.0
  O  O37  1  0.660  0.751  0.578  1.0
  O  O38  1  0.032  0.753  0.074  1.0
  O  O39  1  0.499  0.590  0.240  1.0
  O  O40  1  0.733  0.267  0.267  1.0
  O  O41  1  0.182  0.649  0.412  1.0
  O  O42  1  0.601  0.068  0.493  1.0
  O  O43  1  0.718  0.884  0.134  1.0
  O  O44  1  0.116  0.986  0.532  1.0
  O  O45  1  0.983  0.517  0.517  1.0
  O  O46  1  0.256  0.850  0.977  1.0
  O  O47  1  0.366  0.532  0.986  1.0
  O  O48  1  0.176  0.109  0.218  1.0
  O  O49  1  0.684  0.511  0.394  1.0
  O  O50  1  0.757  0.412  0.649  1.0
  O  O51  1  0.856  0.839  0.566  1.0
[/CIF]
.