The crystal structure described by LiNb(BO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-67°. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NbO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Nb(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one B(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Nb(1) and one B(1) atom. is represented by the CIF file [CIF]
data_LiNb(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.108
_cell_length_b   5.046
_cell_length_c   11.696
_cell_angle_alpha   72.262
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.956
_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  0.962  0.907  0.907  1.0
  Li  Li1  1  0.462  0.093  0.593  1.0
  Li  Li2  1  0.538  0.907  0.407  1.0
  Li  Li3  1  0.038  0.093  0.093  1.0
  Nb  Nb4  1  0.304  0.997  0.869  1.0
  Nb  Nb5  1  0.804  0.003  0.631  1.0
  Nb  Nb6  1  0.196  0.997  0.369  1.0
  Nb  Nb7  1  0.696  0.003  0.131  1.0
  B  B8  1  0.317  0.442  0.382  1.0
  B  B9  1  0.647  0.988  0.869  1.0
  B  B10  1  0.817  0.558  0.118  1.0
  B  B11  1  0.147  0.012  0.631  1.0
  B  B12  1  0.853  0.988  0.369  1.0
  B  B13  1  0.183  0.442  0.882  1.0
  B  B14  1  0.353  0.012  0.131  1.0
  B  B15  1  0.683  0.558  0.618  1.0
  O  O16  1  0.337  0.889  0.042  1.0
  O  O17  1  0.644  0.301  0.609  1.0
  O  O18  1  0.898  0.797  0.087  1.0
  O  O19  1  0.269  0.074  0.688  1.0
  O  O20  1  0.007  0.073  0.663  1.0
  O  O21  1  0.673  0.600  0.156  1.0
  O  O22  1  0.173  0.400  0.344  1.0
  O  O23  1  0.507  0.927  0.837  1.0
  O  O24  1  0.769  0.926  0.812  1.0
  O  O25  1  0.398  0.203  0.413  1.0
  O  O26  1  0.837  0.111  0.458  1.0
  O  O27  1  0.144  0.699  0.891  1.0
  O  O28  1  0.856  0.301  0.109  1.0
  O  O29  1  0.163  0.889  0.542  1.0
  O  O30  1  0.602  0.797  0.587  1.0
  O  O31  1  0.231  0.074  0.188  1.0
  O  O32  1  0.493  0.073  0.163  1.0
  O  O33  1  0.827  0.600  0.656  1.0
  O  O34  1  0.327  0.400  0.844  1.0
  O  O35  1  0.993  0.927  0.337  1.0
  O  O36  1  0.731  0.926  0.312  1.0
  O  O37  1  0.102  0.203  0.913  1.0
  O  O38  1  0.356  0.699  0.391  1.0
  O  O39  1  0.663  0.111  0.958  1.0
[/CIF]
.
The crystal structure described by LiNb(BO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-67°. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NbO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Nb(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Nb(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one B(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Nb(1) and one B(1) atom. is represented by the CIF file [CIF]
data_LiNb(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.108
_cell_length_b   5.046
_cell_length_c   11.696
_cell_angle_alpha   72.262
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.956
_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  0.962  0.907  0.907  1.0
  Li  Li1  1  0.462  0.093  0.593  1.0
  Li  Li2  1  0.538  0.907  0.407  1.0
  Li  Li3  1  0.038  0.093  0.093  1.0
  Nb  Nb4  1  0.304  0.997  0.869  1.0
  Nb  Nb5  1  0.804  0.003  0.631  1.0
  Nb  Nb6  1  0.196  0.997  0.369  1.0
  Nb  Nb7  1  0.696  0.003  0.131  1.0
  B  B8  1  0.317  0.442  0.382  1.0
  B  B9  1  0.647  0.988  0.869  1.0
  B  B10  1  0.817  0.558  0.118  1.0
  B  B11  1  0.147  0.012  0.631  1.0
  B  B12  1  0.853  0.988  0.369  1.0
  B  B13  1  0.183  0.442  0.882  1.0
  B  B14  1  0.353  0.012  0.131  1.0
  B  B15  1  0.683  0.558  0.618  1.0
  O  O16  1  0.337  0.889  0.042  1.0
  O  O17  1  0.644  0.301  0.609  1.0
  O  O18  1  0.898  0.797  0.087  1.0
  O  O19  1  0.269  0.074  0.688  1.0
  O  O20  1  0.007  0.073  0.663  1.0
  O  O21  1  0.673  0.600  0.156  1.0
  O  O22  1  0.173  0.400  0.344  1.0
  O  O23  1  0.507  0.927  0.837  1.0
  O  O24  1  0.769  0.926  0.812  1.0
  O  O25  1  0.398  0.203  0.413  1.0
  O  O26  1  0.837  0.111  0.458  1.0
  O  O27  1  0.144  0.699  0.891  1.0
  O  O28  1  0.856  0.301  0.109  1.0
  O  O29  1  0.163  0.889  0.542  1.0
  O  O30  1  0.602  0.797  0.587  1.0
  O  O31  1  0.231  0.074  0.188  1.0
  O  O32  1  0.493  0.073  0.163  1.0
  O  O33  1  0.827  0.600  0.656  1.0
  O  O34  1  0.327  0.400  0.844  1.0
  O  O35  1  0.993  0.927  0.337  1.0
  O  O36  1  0.731  0.926  0.312  1.0
  O  O37  1  0.102  0.203  0.913  1.0
  O  O38  1  0.356  0.699  0.391  1.0
  O  O39  1  0.663  0.111  0.958  1.0
[/CIF]
.