The structure described by Li3Ti(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three 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(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with three equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent O(3) atoms. 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 three equivalent Li(1)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. 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 to one Li(1), one Li(2), one Ti(1), and one B(2) atom to form distorted OLi2TiB tetrahedra that share corners with three equivalent O(5)Li2TiB tetrahedra, corners with two equivalent O(3)Li4B trigonal bipyramids, and  an edgeedge with one O(2)Li2TiB trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Ti(1), and one B(1) atom to form distorted OLi2TiB trigonal pyramids that share corners with three equivalent O(5)Li2TiB tetrahedra, corners with two equivalent O(3)Li4B trigonal bipyramids,  an edgeedge with one O(1)Li2TiB tetrahedra, and  an edgeedge with one O(3)Li4B trigonal bipyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one B(1) atom to form distorted OLi4B trigonal bipyramids that share corners with two equivalent O(1)Li2TiB tetrahedra, corners with three equivalent O(5)Li2TiB tetrahedra, corners with two equivalent O(2)Li2TiB trigonal pyramids,  an edgeedge with one O(3)Li4B trigonal bipyramid, and  an edgeedge with one O(2)Li2TiB trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ti(1), and one B(2) atom to form distorted OLi2TiB tetrahedra that share corners with three equivalent O(1)Li2TiB tetrahedra, corners with three equivalent O(3)Li4B trigonal bipyramids, and corners with three equivalent O(2)Li2TiB trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Li3Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.941
_cell_length_b   5.191
_cell_length_c   11.183
_cell_angle_alpha   63.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.709
_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  0.975  0.512  0.330  1.0
  Li  Li1  1  0.657  0.448  0.381  1.0
  Li  Li2  1  0.986  0.923  0.901  1.0
  Li  Li3  1  0.157  0.552  0.119  1.0
  Li  Li4  1  0.486  0.077  0.599  1.0
  Li  Li5  1  0.475  0.488  0.170  1.0
  Li  Li6  1  0.525  0.512  0.830  1.0
  Li  Li7  1  0.514  0.923  0.401  1.0
  Li  Li8  1  0.843  0.448  0.881  1.0
  Li  Li9  1  0.014  0.077  0.099  1.0
  Li  Li10  1  0.343  0.552  0.619  1.0
  Li  Li11  1  0.025  0.488  0.670  1.0
  Ti  Ti12  1  0.332  0.970  0.877  1.0
  Ti  Ti13  1  0.832  0.030  0.623  1.0
  Ti  Ti14  1  0.168  0.970  0.377  1.0
  Ti  Ti15  1  0.668  0.030  0.123  1.0
  B  B16  1  0.325  0.457  0.379  1.0
  B  B17  1  0.667  0.965  0.870  1.0
  B  B18  1  0.825  0.543  0.121  1.0
  B  B19  1  0.167  0.035  0.630  1.0
  B  B20  1  0.833  0.965  0.370  1.0
  B  B21  1  0.175  0.457  0.879  1.0
  B  B22  1  0.333  0.035  0.130  1.0
  B  B23  1  0.675  0.543  0.621  1.0
  O  O24  1  0.327  0.825  0.085  1.0
  O  O25  1  0.662  0.307  0.594  1.0
  O  O26  1  0.949  0.702  0.120  1.0
  O  O27  1  0.028  0.154  0.636  1.0
  O  O28  1  0.293  0.132  0.669  1.0
  O  O29  1  0.683  0.620  0.149  1.0
  O  O30  1  0.183  0.380  0.351  1.0
  O  O31  1  0.793  0.868  0.831  1.0
  O  O32  1  0.528  0.846  0.864  1.0
  O  O33  1  0.449  0.298  0.380  1.0
  O  O34  1  0.827  0.175  0.415  1.0
  O  O35  1  0.162  0.693  0.906  1.0
  O  O36  1  0.838  0.307  0.094  1.0
  O  O37  1  0.173  0.825  0.585  1.0
  O  O38  1  0.551  0.702  0.620  1.0
  O  O39  1  0.472  0.154  0.136  1.0
  O  O40  1  0.207  0.132  0.169  1.0
  O  O41  1  0.817  0.620  0.649  1.0
  O  O42  1  0.317  0.380  0.851  1.0
  O  O43  1  0.707  0.868  0.331  1.0
  O  O44  1  0.972  0.846  0.364  1.0
  O  O45  1  0.051  0.298  0.880  1.0
  O  O46  1  0.338  0.693  0.406  1.0
  O  O47  1  0.673  0.175  0.915  1.0
[/CIF]
.
The structure described by Li3Ti(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three 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(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with three equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent O(3) atoms. 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 three equivalent Li(1)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. 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 to one Li(1), one Li(2), one Ti(1), and one B(2) atom to form distorted OLi2TiB tetrahedra that share corners with three equivalent O(5)Li2TiB tetrahedra, corners with two equivalent O(3)Li4B trigonal bipyramids, and  an edgeedge with one O(2)Li2TiB trigonal pyramid. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Ti(1), and one B(1) atom to form distorted OLi2TiB trigonal pyramids that share corners with three equivalent O(5)Li2TiB tetrahedra, corners with two equivalent O(3)Li4B trigonal bipyramids,  an edgeedge with one O(1)Li2TiB tetrahedra, and  an edgeedge with one O(3)Li4B trigonal bipyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one B(1) atom to form distorted OLi4B trigonal bipyramids that share corners with two equivalent O(1)Li2TiB tetrahedra, corners with three equivalent O(5)Li2TiB tetrahedra, corners with two equivalent O(2)Li2TiB trigonal pyramids,  an edgeedge with one O(3)Li4B trigonal bipyramid, and  an edgeedge with one O(2)Li2TiB trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one B(2) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ti(1), and one B(2) atom to form distorted OLi2TiB tetrahedra that share corners with three equivalent O(1)Li2TiB tetrahedra, corners with three equivalent O(3)Li4B trigonal bipyramids, and corners with three equivalent O(2)Li2TiB trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Ti(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Li3Ti(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.941
_cell_length_b   5.191
_cell_length_c   11.183
_cell_angle_alpha   63.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.709
_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  0.975  0.512  0.330  1.0
  Li  Li1  1  0.657  0.448  0.381  1.0
  Li  Li2  1  0.986  0.923  0.901  1.0
  Li  Li3  1  0.157  0.552  0.119  1.0
  Li  Li4  1  0.486  0.077  0.599  1.0
  Li  Li5  1  0.475  0.488  0.170  1.0
  Li  Li6  1  0.525  0.512  0.830  1.0
  Li  Li7  1  0.514  0.923  0.401  1.0
  Li  Li8  1  0.843  0.448  0.881  1.0
  Li  Li9  1  0.014  0.077  0.099  1.0
  Li  Li10  1  0.343  0.552  0.619  1.0
  Li  Li11  1  0.025  0.488  0.670  1.0
  Ti  Ti12  1  0.332  0.970  0.877  1.0
  Ti  Ti13  1  0.832  0.030  0.623  1.0
  Ti  Ti14  1  0.168  0.970  0.377  1.0
  Ti  Ti15  1  0.668  0.030  0.123  1.0
  B  B16  1  0.325  0.457  0.379  1.0
  B  B17  1  0.667  0.965  0.870  1.0
  B  B18  1  0.825  0.543  0.121  1.0
  B  B19  1  0.167  0.035  0.630  1.0
  B  B20  1  0.833  0.965  0.370  1.0
  B  B21  1  0.175  0.457  0.879  1.0
  B  B22  1  0.333  0.035  0.130  1.0
  B  B23  1  0.675  0.543  0.621  1.0
  O  O24  1  0.327  0.825  0.085  1.0
  O  O25  1  0.662  0.307  0.594  1.0
  O  O26  1  0.949  0.702  0.120  1.0
  O  O27  1  0.028  0.154  0.636  1.0
  O  O28  1  0.293  0.132  0.669  1.0
  O  O29  1  0.683  0.620  0.149  1.0
  O  O30  1  0.183  0.380  0.351  1.0
  O  O31  1  0.793  0.868  0.831  1.0
  O  O32  1  0.528  0.846  0.864  1.0
  O  O33  1  0.449  0.298  0.380  1.0
  O  O34  1  0.827  0.175  0.415  1.0
  O  O35  1  0.162  0.693  0.906  1.0
  O  O36  1  0.838  0.307  0.094  1.0
  O  O37  1  0.173  0.825  0.585  1.0
  O  O38  1  0.551  0.702  0.620  1.0
  O  O39  1  0.472  0.154  0.136  1.0
  O  O40  1  0.207  0.132  0.169  1.0
  O  O41  1  0.817  0.620  0.649  1.0
  O  O42  1  0.317  0.380  0.851  1.0
  O  O43  1  0.707  0.868  0.331  1.0
  O  O44  1  0.972  0.846  0.364  1.0
  O  O45  1  0.051  0.298  0.880  1.0
  O  O46  1  0.338  0.693  0.406  1.0
  O  O47  1  0.673  0.175  0.915  1.0
[/CIF]
.