The crystal structure described by Li2Ti(BO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(5), one O(6), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted TiO5 trigonal bipyramids that share corners with three 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(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) 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(2), one Ti(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Ti(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Ti(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Ti(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Li2Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.992
_cell_length_b   6.871
_cell_length_c   8.075
_cell_angle_alpha   110.122
_cell_angle_beta   92.485
_cell_angle_gamma   89.556
_symmetry_Int_Tables_number   1
_cell_volume   259.846
_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  0.827  0.922  0.100  1.0
  Li  Li1  1  0.628  0.776  0.398  1.0
  Li  Li2  1  0.372  0.224  0.602  1.0
  Li  Li3  1  0.173  0.078  0.900  1.0
  Ti  Ti4  1  0.878  0.590  0.750  1.0
  Ti  Ti5  1  0.122  0.410  0.250  1.0
  B  B6  1  0.855  0.191  0.448  1.0
  B  B7  1  0.673  0.346  0.113  1.0
  B  B8  1  0.327  0.654  0.887  1.0
  B  B9  1  0.145  0.809  0.552  1.0
  O  O10  1  0.901  0.734  0.599  1.0
  O  O11  1  0.785  0.536  0.218  1.0
  O  O12  1  0.866  0.197  0.055  1.0
  O  O13  1  0.743  0.329  0.600  1.0
  O  O14  1  0.745  0.011  0.348  1.0
  O  O15  1  0.600  0.687  0.909  1.0
  O  O16  1  0.400  0.313  0.091  1.0
  O  O17  1  0.255  0.989  0.652  1.0
  O  O18  1  0.257  0.671  0.400  1.0
  O  O19  1  0.134  0.803  0.945  1.0
  O  O20  1  0.215  0.464  0.782  1.0
  O  O21  1  0.099  0.266  0.401  1.0
[/CIF]
.
The crystal structure described by Li2Ti(BO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(5), one O(6), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted TiO5 trigonal bipyramids that share corners with three 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(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) 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(2), one Ti(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Ti(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Ti(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Ti(1), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one B(2) atom. is represented by the CIF file [CIF]
data_Li2Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.992
_cell_length_b   6.871
_cell_length_c   8.075
_cell_angle_alpha   110.122
_cell_angle_beta   92.485
_cell_angle_gamma   89.556
_symmetry_Int_Tables_number   1
_cell_volume   259.846
_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  0.827  0.922  0.100  1.0
  Li  Li1  1  0.628  0.776  0.398  1.0
  Li  Li2  1  0.372  0.224  0.602  1.0
  Li  Li3  1  0.173  0.078  0.900  1.0
  Ti  Ti4  1  0.878  0.590  0.750  1.0
  Ti  Ti5  1  0.122  0.410  0.250  1.0
  B  B6  1  0.855  0.191  0.448  1.0
  B  B7  1  0.673  0.346  0.113  1.0
  B  B8  1  0.327  0.654  0.887  1.0
  B  B9  1  0.145  0.809  0.552  1.0
  O  O10  1  0.901  0.734  0.599  1.0
  O  O11  1  0.785  0.536  0.218  1.0
  O  O12  1  0.866  0.197  0.055  1.0
  O  O13  1  0.743  0.329  0.600  1.0
  O  O14  1  0.745  0.011  0.348  1.0
  O  O15  1  0.600  0.687  0.909  1.0
  O  O16  1  0.400  0.313  0.091  1.0
  O  O17  1  0.255  0.989  0.652  1.0
  O  O18  1  0.257  0.671  0.400  1.0
  O  O19  1  0.134  0.803  0.945  1.0
  O  O20  1  0.215  0.464  0.782  1.0
  O  O21  1  0.099  0.266  0.401  1.0
[/CIF]
.