The compound described by Li3Ti2(PO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(1), one O(13), one O(19), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. In the third Li site, Li(3) is bonded to one O(14), one O(2), one O(24), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(17), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. In the fifth Li site, Li(5) is bonded to one O(12), one O(21), one O(24), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-68°. In the sixth Li site, Li(6) is bonded to one O(16), one O(20), one O(23), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(14), one O(20), one O(22), one O(4), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(13), one O(16), one O(2), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(12), one O(17), one O(19), one O(23), one O(24), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(15), one O(18), one O(21), one O(3), and one O(5) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-49°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-51°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(12), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(20), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-50°. In the fifth P site, P(5) is bonded to one O(14), one O(16), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-48°. In the sixth P site, P(6) is bonded to one O(17), one O(2), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-48°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(2), and one P(3) atom to form corner-sharing OLi2TiP tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Ti(2), and one P(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Ti(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(4), and one P(3) atom. In the sixth O site, O(6) is bonded to one Li(5), one Li(6), one Ti(2), and one P(2) atom to form corner-sharing OLi2TiP tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Ti(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(4), one Ti(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(5), one Ti(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Ti(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Ti(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ti(4) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(6), one Ti(2), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Ti(3), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Ti(4) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(2), one Ti(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Li(6), one Ti(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Li(5), one Ti(4), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded to one Li(4), one Li(6), one Ti(3), and one P(1) atom to form distorted corner-sharing OLi2TiP tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(3), one Li(5), one Ti(3), and one P(4) atom to form distorted corner-sharing OLi2TiP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ti2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.476
_cell_length_b   8.498
_cell_length_c   9.103
_cell_angle_alpha   62.452
_cell_angle_beta   62.380
_cell_angle_gamma   60.108
_symmetry_Int_Tables_number   1
_cell_volume   480.306
_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  0.244  0.569  0.355  1.0
  Li  Li1  1  0.330  0.072  0.863  1.0
  Li  Li2  1  0.076  0.733  0.865  1.0
  Li  Li3  1  0.925  0.269  0.140  1.0
  Li  Li4  1  0.670  0.923  0.139  1.0
  Li  Li5  1  0.733  0.332  0.859  1.0
  Ti  Ti6  1  0.144  0.143  0.563  1.0
  Ti  Ti7  1  0.346  0.351  0.957  1.0
  Ti  Ti8  1  0.645  0.655  0.044  1.0
  Ti  Ti9  1  0.847  0.856  0.439  1.0
  P  P10  1  0.044  0.457  0.750  1.0
  P  P11  1  0.542  0.251  0.250  1.0
  P  P12  1  0.250  0.957  0.252  1.0
  P  P13  1  0.748  0.043  0.750  1.0
  P  P14  1  0.461  0.748  0.749  1.0
  P  P15  1  0.957  0.540  0.250  1.0
  O  O16  1  0.206  0.150  0.100  1.0
  O  O17  1  0.151  0.532  0.099  1.0
  O  O18  1  0.018  0.605  0.575  1.0
  O  O19  1  0.144  0.253  0.732  1.0
  O  O20  1  0.127  0.853  0.279  1.0
  O  O21  1  0.541  0.208  0.100  1.0
  O  O22  1  0.385  0.207  0.418  1.0
  O  O23  1  0.165  0.496  0.807  1.0
  O  O24  1  0.505  0.467  0.198  1.0
  O  O25  1  0.201  0.997  0.418  1.0
  O  O26  1  0.747  0.129  0.267  1.0
  O  O27  1  0.466  0.835  0.195  1.0
  O  O28  1  0.532  0.166  0.809  1.0
  O  O29  1  0.256  0.871  0.732  1.0
  O  O30  1  0.800  0.004  0.582  1.0
  O  O31  1  0.496  0.533  0.808  1.0
  O  O32  1  0.832  0.506  0.192  1.0
  O  O33  1  0.614  0.799  0.578  1.0
  O  O34  1  0.473  0.798  0.890  1.0
  O  O35  1  0.871  0.143  0.732  1.0
  O  O36  1  0.858  0.745  0.267  1.0
  O  O37  1  0.997  0.390  0.417  1.0
  O  O38  1  0.847  0.462  0.897  1.0
  O  O39  1  0.790  0.849  0.901  1.0
[/CIF]
.
The compound described by Li3Ti2(PO4)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(1), one O(13), one O(19), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-67°. In the third Li site, Li(3) is bonded to one O(14), one O(2), one O(24), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-67°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(17), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. In the fifth Li site, Li(5) is bonded to one O(12), one O(21), one O(24), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-68°. In the sixth Li site, Li(6) is bonded to one O(16), one O(20), one O(23), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(14), one O(20), one O(22), one O(4), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(13), one O(16), one O(2), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the third Ti site, Ti(3) is bonded to one O(12), one O(17), one O(19), one O(23), one O(24), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(15), one O(18), one O(21), one O(3), and one O(5) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-49°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-51°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(12), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(20), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-50°. In the fifth P site, P(5) is bonded to one O(14), one O(16), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-48°. In the sixth P site, P(6) is bonded to one O(17), one O(2), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and  a cornercorner with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-48°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(2), and one P(3) atom to form corner-sharing OLi2TiP tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Ti(2), and one P(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Ti(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ti(4), and one P(3) atom. In the sixth O site, O(6) is bonded to one Li(5), one Li(6), one Ti(2), and one P(2) atom to form corner-sharing OLi2TiP tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Ti(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(4), one Ti(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(5), one Ti(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Ti(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Ti(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ti(4) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(6), one Ti(2), and one P(5) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Ti(3), and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Ti(4) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Li(2), one Ti(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Li(6), one Ti(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Li(5), one Ti(4), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded to one Li(4), one Li(6), one Ti(3), and one P(1) atom to form distorted corner-sharing OLi2TiP tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(3), one Li(5), one Ti(3), and one P(4) atom to form distorted corner-sharing OLi2TiP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Ti2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.476
_cell_length_b   8.498
_cell_length_c   9.103
_cell_angle_alpha   62.452
_cell_angle_beta   62.380
_cell_angle_gamma   60.108
_symmetry_Int_Tables_number   1
_cell_volume   480.306
_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  0.244  0.569  0.355  1.0
  Li  Li1  1  0.330  0.072  0.863  1.0
  Li  Li2  1  0.076  0.733  0.865  1.0
  Li  Li3  1  0.925  0.269  0.140  1.0
  Li  Li4  1  0.670  0.923  0.139  1.0
  Li  Li5  1  0.733  0.332  0.859  1.0
  Ti  Ti6  1  0.144  0.143  0.563  1.0
  Ti  Ti7  1  0.346  0.351  0.957  1.0
  Ti  Ti8  1  0.645  0.655  0.044  1.0
  Ti  Ti9  1  0.847  0.856  0.439  1.0
  P  P10  1  0.044  0.457  0.750  1.0
  P  P11  1  0.542  0.251  0.250  1.0
  P  P12  1  0.250  0.957  0.252  1.0
  P  P13  1  0.748  0.043  0.750  1.0
  P  P14  1  0.461  0.748  0.749  1.0
  P  P15  1  0.957  0.540  0.250  1.0
  O  O16  1  0.206  0.150  0.100  1.0
  O  O17  1  0.151  0.532  0.099  1.0
  O  O18  1  0.018  0.605  0.575  1.0
  O  O19  1  0.144  0.253  0.732  1.0
  O  O20  1  0.127  0.853  0.279  1.0
  O  O21  1  0.541  0.208  0.100  1.0
  O  O22  1  0.385  0.207  0.418  1.0
  O  O23  1  0.165  0.496  0.807  1.0
  O  O24  1  0.505  0.467  0.198  1.0
  O  O25  1  0.201  0.997  0.418  1.0
  O  O26  1  0.747  0.129  0.267  1.0
  O  O27  1  0.466  0.835  0.195  1.0
  O  O28  1  0.532  0.166  0.809  1.0
  O  O29  1  0.256  0.871  0.732  1.0
  O  O30  1  0.800  0.004  0.582  1.0
  O  O31  1  0.496  0.533  0.808  1.0
  O  O32  1  0.832  0.506  0.192  1.0
  O  O33  1  0.614  0.799  0.578  1.0
  O  O34  1  0.473  0.798  0.890  1.0
  O  O35  1  0.871  0.143  0.732  1.0
  O  O36  1  0.858  0.745  0.267  1.0
  O  O37  1  0.997  0.390  0.417  1.0
  O  O38  1  0.847  0.462  0.897  1.0
  O  O39  1  0.790  0.849  0.901  1.0
[/CIF]
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