The structure described by Li2Ti3O7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(7) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(6) and three equivalent O(5) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 9-95°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), one O(6), and three equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 32°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Ti(3)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-31°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2) and three equivalent Ti(1) atoms to form distorted OTi4 trigonal pyramids that share corners with three equivalent O(5)Li3Ti2 trigonal bipyramids, corners with two equivalent O(1)Ti4 trigonal pyramids, and edges with two equivalent O(1)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent Li(1), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(3) atoms. In the fifth O site, O(5) is bonded to three equivalent Li(2), one Ti(1), and one Ti(3) atom to form OLi3Ti2 trigonal bipyramids that share corners with two equivalent O(5)Li3Ti2 trigonal bipyramids, corners with three equivalent O(1)Ti4 trigonal pyramids, and edges with two equivalent O(5)Li3Ti2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Li(1) and one Ti(3) atom. is represented by the CIF file [CIF]
data_Li2Ti3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   7.846
_cell_length_c   9.330
_cell_angle_alpha   80.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   274.209
_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  0.250  0.698  0.415  1.0
  Li  Li1  1  0.250  0.491  0.857  1.0
  Li  Li2  1  0.750  0.509  0.143  1.0
  Li  Li3  1  0.750  0.302  0.585  1.0
  Ti  Ti4  1  0.750  0.843  0.976  1.0
  Ti  Ti5  1  0.750  0.956  0.278  1.0
  Ti  Ti6  1  0.750  0.725  0.669  1.0
  Ti  Ti7  1  0.250  0.275  0.331  1.0
  Ti  Ti8  1  0.250  0.044  0.722  1.0
  Ti  Ti9  1  0.250  0.157  0.024  1.0
  O  O10  1  0.250  0.909  0.948  1.0
  O  O11  1  0.250  0.008  0.250  1.0
  O  O12  1  0.750  0.819  0.452  1.0
  O  O13  1  0.250  0.792  0.674  1.0
  O  O14  1  0.750  0.644  0.899  1.0
  O  O15  1  0.750  0.760  0.171  1.0
  O  O16  1  0.750  0.511  0.653  1.0
  O  O17  1  0.250  0.489  0.347  1.0
  O  O18  1  0.250  0.240  0.829  1.0
  O  O19  1  0.250  0.356  0.101  1.0
  O  O20  1  0.750  0.208  0.326  1.0
  O  O21  1  0.250  0.181  0.548  1.0
  O  O22  1  0.750  0.992  0.750  1.0
  O  O23  1  0.750  0.091  0.052  1.0
[/CIF]
.
The structure described by Li2Ti3O7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(7) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(6) and three equivalent O(5) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 9-95°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), one O(6), and three equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 32°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, edges with two equivalent Ti(3)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-31°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2) and three equivalent Ti(1) atoms to form distorted OTi4 trigonal pyramids that share corners with three equivalent O(5)Li3Ti2 trigonal bipyramids, corners with two equivalent O(1)Ti4 trigonal pyramids, and edges with two equivalent O(1)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to two equivalent Li(1), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(3) atoms. In the fifth O site, O(5) is bonded to three equivalent Li(2), one Ti(1), and one Ti(3) atom to form OLi3Ti2 trigonal bipyramids that share corners with two equivalent O(5)Li3Ti2 trigonal bipyramids, corners with three equivalent O(1)Ti4 trigonal pyramids, and edges with two equivalent O(5)Li3Ti2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Ti(1), and one Ti(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Li(1) and one Ti(3) atom. is represented by the CIF file [CIF]
data_Li2Ti3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   7.846
_cell_length_c   9.330
_cell_angle_alpha   80.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   274.209
_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  0.250  0.698  0.415  1.0
  Li  Li1  1  0.250  0.491  0.857  1.0
  Li  Li2  1  0.750  0.509  0.143  1.0
  Li  Li3  1  0.750  0.302  0.585  1.0
  Ti  Ti4  1  0.750  0.843  0.976  1.0
  Ti  Ti5  1  0.750  0.956  0.278  1.0
  Ti  Ti6  1  0.750  0.725  0.669  1.0
  Ti  Ti7  1  0.250  0.275  0.331  1.0
  Ti  Ti8  1  0.250  0.044  0.722  1.0
  Ti  Ti9  1  0.250  0.157  0.024  1.0
  O  O10  1  0.250  0.909  0.948  1.0
  O  O11  1  0.250  0.008  0.250  1.0
  O  O12  1  0.750  0.819  0.452  1.0
  O  O13  1  0.250  0.792  0.674  1.0
  O  O14  1  0.750  0.644  0.899  1.0
  O  O15  1  0.750  0.760  0.171  1.0
  O  O16  1  0.750  0.511  0.653  1.0
  O  O17  1  0.250  0.489  0.347  1.0
  O  O18  1  0.250  0.240  0.829  1.0
  O  O19  1  0.250  0.356  0.101  1.0
  O  O20  1  0.750  0.208  0.326  1.0
  O  O21  1  0.250  0.181  0.548  1.0
  O  O22  1  0.750  0.992  0.750  1.0
  O  O23  1  0.750  0.091  0.052  1.0
[/CIF]
.