The material described by Li3Ti(PO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with six equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 76°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with five equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ti(1), and one P(1) atom to form distorted OLi2TiP trigonal pyramids that share corners with five equivalent O(3)Li3P tetrahedra and corners with two equivalent O(1)Li2TiP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form distorted OLi3P tetrahedra that share corners with three equivalent O(3)Li3P tetrahedra and corners with five equivalent O(1)Li2TiP trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ti(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ti(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.260
_cell_length_b   5.260
_cell_length_c   13.174
_cell_angle_alpha   82.504
_cell_angle_beta   82.504
_cell_angle_gamma   53.941
_symmetry_Int_Tables_number   1
_cell_volume   291.493
_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  0.361  0.299  0.648  1.0
  Li  Li1  1  0.299  0.361  0.148  1.0
  Li  Li2  1  0.701  0.639  0.852  1.0
  Li  Li3  1  0.639  0.701  0.352  1.0
  Li  Li4  1  0.054  0.946  0.750  1.0
  Li  Li5  1  0.946  0.054  0.250  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.365  0.318  0.885  1.0
  P  P9  1  0.318  0.365  0.385  1.0
  P  P10  1  0.682  0.635  0.615  1.0
  P  P11  1  0.635  0.682  0.115  1.0
  O  O12  1  0.727  0.172  0.868  1.0
  O  O13  1  0.172  0.727  0.368  1.0
  O  O14  1  0.229  0.546  0.973  1.0
  O  O15  1  0.546  0.229  0.473  1.0
  O  O16  1  0.186  0.500  0.788  1.0
  O  O17  1  0.961  0.669  0.584  1.0
  O  O18  1  0.500  0.186  0.288  1.0
  O  O19  1  0.669  0.961  0.084  1.0
  O  O20  1  0.331  0.039  0.916  1.0
  O  O21  1  0.500  0.814  0.712  1.0
  O  O22  1  0.039  0.331  0.416  1.0
  O  O23  1  0.814  0.500  0.212  1.0
  O  O24  1  0.454  0.771  0.527  1.0
  O  O25  1  0.771  0.454  0.027  1.0
  O  O26  1  0.828  0.273  0.632  1.0
  O  O27  1  0.273  0.828  0.132  1.0
[/CIF]
.
The material described by Li3Ti(PO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with six equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 76°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with five equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ti(1), and one P(1) atom to form distorted OLi2TiP trigonal pyramids that share corners with five equivalent O(3)Li3P tetrahedra and corners with two equivalent O(1)Li2TiP trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form distorted OLi3P tetrahedra that share corners with three equivalent O(3)Li3P tetrahedra and corners with five equivalent O(1)Li2TiP trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ti(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ti(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.260
_cell_length_b   5.260
_cell_length_c   13.174
_cell_angle_alpha   82.504
_cell_angle_beta   82.504
_cell_angle_gamma   53.941
_symmetry_Int_Tables_number   1
_cell_volume   291.493
_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  0.361  0.299  0.648  1.0
  Li  Li1  1  0.299  0.361  0.148  1.0
  Li  Li2  1  0.701  0.639  0.852  1.0
  Li  Li3  1  0.639  0.701  0.352  1.0
  Li  Li4  1  0.054  0.946  0.750  1.0
  Li  Li5  1  0.946  0.054  0.250  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.365  0.318  0.885  1.0
  P  P9  1  0.318  0.365  0.385  1.0
  P  P10  1  0.682  0.635  0.615  1.0
  P  P11  1  0.635  0.682  0.115  1.0
  O  O12  1  0.727  0.172  0.868  1.0
  O  O13  1  0.172  0.727  0.368  1.0
  O  O14  1  0.229  0.546  0.973  1.0
  O  O15  1  0.546  0.229  0.473  1.0
  O  O16  1  0.186  0.500  0.788  1.0
  O  O17  1  0.961  0.669  0.584  1.0
  O  O18  1  0.500  0.186  0.288  1.0
  O  O19  1  0.669  0.961  0.084  1.0
  O  O20  1  0.331  0.039  0.916  1.0
  O  O21  1  0.500  0.814  0.712  1.0
  O  O22  1  0.039  0.331  0.416  1.0
  O  O23  1  0.814  0.500  0.212  1.0
  O  O24  1  0.454  0.771  0.527  1.0
  O  O25  1  0.771  0.454  0.027  1.0
  O  O26  1  0.828  0.273  0.632  1.0
  O  O27  1  0.273  0.828  0.132  1.0
[/CIF]
.