The material described by Li2Ti(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ti(1)O5 trigonal bipyramids and  an edgeedge with one Li(2)O4 trigonal pyramid. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 trigonal pyramids. 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 distorted trigonal planar geometry to one Li(1), one Ti(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Ti(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.909
_cell_length_b   5.158
_cell_length_c   11.373
_cell_angle_alpha   64.625
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.210
_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  0.665  0.450  0.366  1.0
  Li  Li1  1  0.987  0.927  0.902  1.0
  Li  Li2  1  0.165  0.550  0.134  1.0
  Li  Li3  1  0.487  0.073  0.598  1.0
  Li  Li4  1  0.513  0.927  0.402  1.0
  Li  Li5  1  0.835  0.450  0.866  1.0
  Li  Li6  1  0.013  0.073  0.098  1.0
  Li  Li7  1  0.335  0.550  0.634  1.0
  Ti  Ti8  1  0.326  0.983  0.868  1.0
  Ti  Ti9  1  0.826  0.017  0.632  1.0
  Ti  Ti10  1  0.174  0.983  0.368  1.0
  Ti  Ti11  1  0.674  0.017  0.132  1.0
  B  B12  1  0.337  0.453  0.376  1.0
  B  B13  1  0.667  0.967  0.875  1.0
  B  B14  1  0.837  0.547  0.124  1.0
  B  B15  1  0.167  0.033  0.625  1.0
  B  B16  1  0.833  0.967  0.375  1.0
  B  B17  1  0.163  0.453  0.876  1.0
  B  B18  1  0.333  0.033  0.125  1.0
  B  B19  1  0.663  0.547  0.624  1.0
  O  O20  1  0.312  0.874  0.054  1.0
  O  O21  1  0.672  0.292  0.608  1.0
  O  O22  1  0.962  0.707  0.097  1.0
  O  O23  1  0.291  0.123  0.671  1.0
  O  O24  1  0.023  0.097  0.650  1.0
  O  O25  1  0.703  0.629  0.166  1.0
  O  O26  1  0.203  0.371  0.334  1.0
  O  O27  1  0.523  0.903  0.850  1.0
  O  O28  1  0.791  0.877  0.829  1.0
  O  O29  1  0.462  0.293  0.403  1.0
  O  O30  1  0.812  0.126  0.446  1.0
  O  O31  1  0.172  0.708  0.892  1.0
  O  O32  1  0.828  0.292  0.108  1.0
  O  O33  1  0.188  0.874  0.554  1.0
  O  O34  1  0.538  0.707  0.597  1.0
  O  O35  1  0.209  0.123  0.171  1.0
  O  O36  1  0.477  0.097  0.150  1.0
  O  O37  1  0.797  0.629  0.666  1.0
  O  O38  1  0.297  0.371  0.834  1.0
  O  O39  1  0.977  0.903  0.350  1.0
  O  O40  1  0.709  0.877  0.329  1.0
  O  O41  1  0.038  0.293  0.903  1.0
  O  O42  1  0.328  0.708  0.392  1.0
  O  O43  1  0.688  0.126  0.946  1.0
[/CIF]
.
The material described by Li2Ti(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ti(1)O5 trigonal bipyramids and  an edgeedge with one Li(2)O4 trigonal pyramid. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with two equivalent Li(2)O4 trigonal pyramids. 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 distorted trigonal planar geometry to one Li(1), one Ti(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Ti(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Ti(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.909
_cell_length_b   5.158
_cell_length_c   11.373
_cell_angle_alpha   64.625
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   472.210
_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  0.665  0.450  0.366  1.0
  Li  Li1  1  0.987  0.927  0.902  1.0
  Li  Li2  1  0.165  0.550  0.134  1.0
  Li  Li3  1  0.487  0.073  0.598  1.0
  Li  Li4  1  0.513  0.927  0.402  1.0
  Li  Li5  1  0.835  0.450  0.866  1.0
  Li  Li6  1  0.013  0.073  0.098  1.0
  Li  Li7  1  0.335  0.550  0.634  1.0
  Ti  Ti8  1  0.326  0.983  0.868  1.0
  Ti  Ti9  1  0.826  0.017  0.632  1.0
  Ti  Ti10  1  0.174  0.983  0.368  1.0
  Ti  Ti11  1  0.674  0.017  0.132  1.0
  B  B12  1  0.337  0.453  0.376  1.0
  B  B13  1  0.667  0.967  0.875  1.0
  B  B14  1  0.837  0.547  0.124  1.0
  B  B15  1  0.167  0.033  0.625  1.0
  B  B16  1  0.833  0.967  0.375  1.0
  B  B17  1  0.163  0.453  0.876  1.0
  B  B18  1  0.333  0.033  0.125  1.0
  B  B19  1  0.663  0.547  0.624  1.0
  O  O20  1  0.312  0.874  0.054  1.0
  O  O21  1  0.672  0.292  0.608  1.0
  O  O22  1  0.962  0.707  0.097  1.0
  O  O23  1  0.291  0.123  0.671  1.0
  O  O24  1  0.023  0.097  0.650  1.0
  O  O25  1  0.703  0.629  0.166  1.0
  O  O26  1  0.203  0.371  0.334  1.0
  O  O27  1  0.523  0.903  0.850  1.0
  O  O28  1  0.791  0.877  0.829  1.0
  O  O29  1  0.462  0.293  0.403  1.0
  O  O30  1  0.812  0.126  0.446  1.0
  O  O31  1  0.172  0.708  0.892  1.0
  O  O32  1  0.828  0.292  0.108  1.0
  O  O33  1  0.188  0.874  0.554  1.0
  O  O34  1  0.538  0.707  0.597  1.0
  O  O35  1  0.209  0.123  0.171  1.0
  O  O36  1  0.477  0.097  0.150  1.0
  O  O37  1  0.797  0.629  0.666  1.0
  O  O38  1  0.297  0.371  0.834  1.0
  O  O39  1  0.977  0.903  0.350  1.0
  O  O40  1  0.709  0.877  0.329  1.0
  O  O41  1  0.038  0.293  0.903  1.0
  O  O42  1  0.328  0.708  0.392  1.0
  O  O43  1  0.688  0.126  0.946  1.0
[/CIF]
.