The material structure described by Li2TiO3 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ti(2) atom to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ti(2) atom to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ti(2) atom to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to two equivalent Li(2), two equivalent Li(3), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth O site, O(5) is bonded to two equivalent Li(2), two equivalent Li(3), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. is represented by the CIF file [CIF]
data_Li2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.038
_cell_length_b   5.087
_cell_length_c   7.623
_cell_angle_alpha   109.201
_cell_angle_beta   89.555
_cell_angle_gamma   118.112
_symmetry_Int_Tables_number   1
_cell_volume   160.186
_cell_formula_units_Z   3
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  0.169  0.348  0.497  1.0
  Li  Li1  1  0.608  0.897  0.832  1.0
  Li  Li2  1  0.392  0.103  0.168  1.0
  Li  Li3  1  0.831  0.652  0.503  1.0
  Li  Li4  1  0.283  0.218  0.834  1.0
  Li  Li5  1  0.717  0.782  0.166  1.0
  Ti  Ti6  1  0.038  0.447  0.167  1.0
  Ti  Ti7  1  0.500  0.000  0.500  1.0
  Ti  Ti8  1  0.962  0.553  0.833  1.0
  O  O9  1  0.135  0.921  0.340  1.0
  O  O10  1  0.865  0.079  0.660  1.0
  O  O11  1  0.229  0.771  0.673  1.0
  O  O12  1  0.579  0.477  0.670  1.0
  O  O13  1  0.290  0.657  0.992  1.0
  O  O14  1  0.000  0.000  0.000  1.0
  O  O15  1  0.710  0.343  0.008  1.0
  O  O16  1  0.421  0.523  0.330  1.0
  O  O17  1  0.771  0.229  0.327  1.0
[/CIF]
.
The material structure described by Li2TiO3 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ti(2) atom to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ti(2) atom to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ti(2) atom to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to two equivalent Li(2), two equivalent Li(3), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth O site, O(5) is bonded to two equivalent Li(2), two equivalent Li(3), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLi4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. is represented by the CIF file [CIF]
data_Li2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.038
_cell_length_b   5.087
_cell_length_c   7.623
_cell_angle_alpha   109.201
_cell_angle_beta   89.555
_cell_angle_gamma   118.112
_symmetry_Int_Tables_number   1
_cell_volume   160.186
_cell_formula_units_Z   3
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  0.169  0.348  0.497  1.0
  Li  Li1  1  0.608  0.897  0.832  1.0
  Li  Li2  1  0.392  0.103  0.168  1.0
  Li  Li3  1  0.831  0.652  0.503  1.0
  Li  Li4  1  0.283  0.218  0.834  1.0
  Li  Li5  1  0.717  0.782  0.166  1.0
  Ti  Ti6  1  0.038  0.447  0.167  1.0
  Ti  Ti7  1  0.500  0.000  0.500  1.0
  Ti  Ti8  1  0.962  0.553  0.833  1.0
  O  O9  1  0.135  0.921  0.340  1.0
  O  O10  1  0.865  0.079  0.660  1.0
  O  O11  1  0.229  0.771  0.673  1.0
  O  O12  1  0.579  0.477  0.670  1.0
  O  O13  1  0.290  0.657  0.992  1.0
  O  O14  1  0.000  0.000  0.000  1.0
  O  O15  1  0.710  0.343  0.008  1.0
  O  O16  1  0.421  0.523  0.330  1.0
  O  O17  1  0.771  0.229  0.327  1.0
[/CIF]
.