The compound described by Li2Ti(BO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and  a cornercorner with one Ti(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Ti(2)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(3), one O(6), and one O(9) atom to form TiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form distorted TiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra and  a cornercorner with one Li(1)O4 trigonal pyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(12), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(5), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one B(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(3), one Ti(2), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ti(1), and one B(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Ti(2), and one B(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(4), one Ti(1), and one B(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Ti(2), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Ti(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Li2Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   6.225
_cell_length_c   8.321
_cell_angle_alpha   74.936
_cell_angle_beta   87.184
_cell_angle_gamma   87.479
_symmetry_Int_Tables_number   1
_cell_volume   257.337
_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  0.349  0.647  0.601  1.0
  Li  Li1  1  0.185  0.543  0.237  1.0
  Li  Li2  1  0.843  0.509  0.787  1.0
  Li  Li3  1  0.837  0.268  0.335  1.0
  Ti  Ti4  1  0.360  0.997  0.253  1.0
  Ti  Ti5  1  0.654  0.012  0.753  1.0
  B  B6  1  0.843  0.816  0.434  1.0
  B  B7  1  0.342  0.306  0.907  1.0
  B  B8  1  0.673  0.689  0.087  1.0
  B  B9  1  0.166  0.134  0.553  1.0
  O  O10  1  0.332  0.010  0.670  1.0
  O  O11  1  0.731  0.754  0.912  1.0
  O  O12  1  0.116  0.801  0.400  1.0
  O  O13  1  0.724  0.700  0.575  1.0
  O  O14  1  0.207  0.446  0.794  1.0
  O  O15  1  0.433  0.776  0.137  1.0
  O  O16  1  0.598  0.226  0.866  1.0
  O  O17  1  0.826  0.552  0.193  1.0
  O  O18  1  0.243  0.230  0.391  1.0
  O  O19  1  0.903  0.148  0.595  1.0
  O  O20  1  0.264  0.225  0.075  1.0
  O  O21  1  0.706  0.985  0.316  1.0
[/CIF]
.
The compound described by Li2Ti(BO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, and  a cornercorner with one Ti(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Ti(2)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(3), one O(6), and one O(9) atom to form TiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form distorted TiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra and  a cornercorner with one Li(1)O4 trigonal pyramid. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(12), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(5), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2), one O(6), and one O(8) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), and one B(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(3), one Ti(2), and one B(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ti(1), and one B(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Ti(2), and one B(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Li(2), one Li(4), one Ti(1), and one B(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Ti(2), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Ti(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Li2Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   6.225
_cell_length_c   8.321
_cell_angle_alpha   74.936
_cell_angle_beta   87.184
_cell_angle_gamma   87.479
_symmetry_Int_Tables_number   1
_cell_volume   257.337
_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  0.349  0.647  0.601  1.0
  Li  Li1  1  0.185  0.543  0.237  1.0
  Li  Li2  1  0.843  0.509  0.787  1.0
  Li  Li3  1  0.837  0.268  0.335  1.0
  Ti  Ti4  1  0.360  0.997  0.253  1.0
  Ti  Ti5  1  0.654  0.012  0.753  1.0
  B  B6  1  0.843  0.816  0.434  1.0
  B  B7  1  0.342  0.306  0.907  1.0
  B  B8  1  0.673  0.689  0.087  1.0
  B  B9  1  0.166  0.134  0.553  1.0
  O  O10  1  0.332  0.010  0.670  1.0
  O  O11  1  0.731  0.754  0.912  1.0
  O  O12  1  0.116  0.801  0.400  1.0
  O  O13  1  0.724  0.700  0.575  1.0
  O  O14  1  0.207  0.446  0.794  1.0
  O  O15  1  0.433  0.776  0.137  1.0
  O  O16  1  0.598  0.226  0.866  1.0
  O  O17  1  0.826  0.552  0.193  1.0
  O  O18  1  0.243  0.230  0.391  1.0
  O  O19  1  0.903  0.148  0.595  1.0
  O  O20  1  0.264  0.225  0.075  1.0
  O  O21  1  0.706  0.985  0.316  1.0
[/CIF]
.