The crystal structure described by Li3Ti2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. 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 two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ti(2), and one P(1) atom to form distorted corner-sharing OLi2TiP tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), and one P(1) atom. 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_Li3Ti2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.073
_cell_length_b   9.073
_cell_length_c   9.073
_cell_angle_alpha   55.849
_cell_angle_beta   55.849
_cell_angle_gamma   55.850
_symmetry_Int_Tables_number   1
_cell_volume   477.259
_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  0.922  0.264  0.662  1.0
  Li  Li1  1  0.662  0.922  0.264  1.0
  Li  Li2  1  0.338  0.078  0.736  1.0
  Li  Li3  1  0.078  0.736  0.338  1.0
  Li  Li4  1  0.736  0.338  0.078  1.0
  Li  Li5  1  0.264  0.662  0.922  1.0
  Ti  Ti6  1  0.853  0.853  0.853  1.0
  Ti  Ti7  1  0.652  0.652  0.652  1.0
  Ti  Ti8  1  0.147  0.147  0.147  1.0
  Ti  Ti9  1  0.348  0.348  0.348  1.0
  P  P10  1  0.459  0.750  0.042  1.0
  P  P11  1  0.958  0.541  0.250  1.0
  P  P12  1  0.042  0.459  0.750  1.0
  P  P13  1  0.250  0.958  0.541  1.0
  P  P14  1  0.541  0.250  0.958  1.0
  P  P15  1  0.750  0.042  0.459  1.0
  O  O16  1  0.612  0.804  0.004  1.0
  O  O17  1  0.539  0.207  0.154  1.0
  O  O18  1  0.494  0.535  0.165  1.0
  O  O19  1  0.388  0.196  0.996  1.0
  O  O20  1  0.745  0.127  0.860  1.0
  O  O21  1  0.255  0.873  0.140  1.0
  O  O22  1  0.196  0.996  0.388  1.0
  O  O23  1  0.207  0.154  0.539  1.0
  O  O24  1  0.004  0.612  0.804  1.0
  O  O25  1  0.506  0.465  0.835  1.0
  O  O26  1  0.793  0.846  0.461  1.0
  O  O27  1  0.860  0.745  0.127  1.0
  O  O28  1  0.465  0.835  0.506  1.0
  O  O29  1  0.461  0.793  0.846  1.0
  O  O30  1  0.154  0.539  0.207  1.0
  O  O31  1  0.140  0.255  0.873  1.0
  O  O32  1  0.846  0.461  0.793  1.0
  O  O33  1  0.996  0.388  0.196  1.0
  O  O34  1  0.535  0.165  0.494  1.0
  O  O35  1  0.127  0.860  0.745  1.0
  O  O36  1  0.873  0.140  0.255  1.0
  O  O37  1  0.165  0.494  0.535  1.0
  O  O38  1  0.804  0.004  0.612  1.0
  O  O39  1  0.835  0.506  0.465  1.0
[/CIF]
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The crystal structure described by Li3Ti2(PO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. 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 two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ti(2), and one P(1) atom to form distorted corner-sharing OLi2TiP tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), and one P(1) atom. 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_Li3Ti2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.073
_cell_length_b   9.073
_cell_length_c   9.073
_cell_angle_alpha   55.849
_cell_angle_beta   55.849
_cell_angle_gamma   55.850
_symmetry_Int_Tables_number   1
_cell_volume   477.259
_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  0.922  0.264  0.662  1.0
  Li  Li1  1  0.662  0.922  0.264  1.0
  Li  Li2  1  0.338  0.078  0.736  1.0
  Li  Li3  1  0.078  0.736  0.338  1.0
  Li  Li4  1  0.736  0.338  0.078  1.0
  Li  Li5  1  0.264  0.662  0.922  1.0
  Ti  Ti6  1  0.853  0.853  0.853  1.0
  Ti  Ti7  1  0.652  0.652  0.652  1.0
  Ti  Ti8  1  0.147  0.147  0.147  1.0
  Ti  Ti9  1  0.348  0.348  0.348  1.0
  P  P10  1  0.459  0.750  0.042  1.0
  P  P11  1  0.958  0.541  0.250  1.0
  P  P12  1  0.042  0.459  0.750  1.0
  P  P13  1  0.250  0.958  0.541  1.0
  P  P14  1  0.541  0.250  0.958  1.0
  P  P15  1  0.750  0.042  0.459  1.0
  O  O16  1  0.612  0.804  0.004  1.0
  O  O17  1  0.539  0.207  0.154  1.0
  O  O18  1  0.494  0.535  0.165  1.0
  O  O19  1  0.388  0.196  0.996  1.0
  O  O20  1  0.745  0.127  0.860  1.0
  O  O21  1  0.255  0.873  0.140  1.0
  O  O22  1  0.196  0.996  0.388  1.0
  O  O23  1  0.207  0.154  0.539  1.0
  O  O24  1  0.004  0.612  0.804  1.0
  O  O25  1  0.506  0.465  0.835  1.0
  O  O26  1  0.793  0.846  0.461  1.0
  O  O27  1  0.860  0.745  0.127  1.0
  O  O28  1  0.465  0.835  0.506  1.0
  O  O29  1  0.461  0.793  0.846  1.0
  O  O30  1  0.154  0.539  0.207  1.0
  O  O31  1  0.140  0.255  0.873  1.0
  O  O32  1  0.846  0.461  0.793  1.0
  O  O33  1  0.996  0.388  0.196  1.0
  O  O34  1  0.535  0.165  0.494  1.0
  O  O35  1  0.127  0.860  0.745  1.0
  O  O36  1  0.873  0.140  0.255  1.0
  O  O37  1  0.165  0.494  0.535  1.0
  O  O38  1  0.804  0.004  0.612  1.0
  O  O39  1  0.835  0.506  0.465  1.0
[/CIF]
.