The material described by LiTiO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) 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 six equivalent Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four O(2,2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ti(2) atoms to form OLi4Ti2 octahedra that share corners with six equivalent O(1)Li4Ti2 octahedra; edges with four equivalent O(3)Li2Ti4 octahedra; and edges with eight O(2,2)Li3Ti3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ti(2), and two equivalent Ti(1) atoms to form OLi3Ti3 octahedra that share corners with six O(2,2)Li3Ti3 octahedra; edges with four equivalent O(3)Li2Ti4 octahedra; edges with four equivalent O(2)Li3Ti3 octahedra; and edges with four equivalent O(1)Li4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(2), two equivalent Ti(1), and two equivalent Ti(2) atoms to form OLi2Ti4 octahedra that share corners with six equivalent O(3)Li2Ti4 octahedra; edges with four equivalent O(1)Li4Ti2 octahedra; and edges with eight O(2,2)Li3Ti3 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ti(2), and two equivalent Ti(1) atoms to form OLi3Ti3 octahedra that share corners with six O(2,2)Li3Ti3 octahedra; edges with four equivalent O(3)Li2Ti4 octahedra; edges with four equivalent O(2)Li3Ti3 octahedra; and edges with four equivalent O(1)Li4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.831
_cell_length_b   5.831
_cell_length_c   5.831
_cell_angle_alpha   120.491
_cell_angle_beta   120.267
_cell_angle_gamma   89.345
_symmetry_Int_Tables_number   1
_cell_volume   139.372
_cell_formula_units_Z   4
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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.000  1.0
  Ti  Ti5  1  0.500  0.000  0.000  1.0
  Ti  Ti6  1  0.500  0.500  0.500  1.0
  Ti  Ti7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.729  0.250  0.479  1.0
  O  O9  1  0.250  0.250  0.500  1.0
  O  O10  1  0.250  0.750  0.000  1.0
  O  O11  1  0.271  0.750  0.521  1.0
  O  O12  1  0.758  0.750  0.008  1.0
  O  O13  1  0.750  0.750  0.500  1.0
  O  O14  1  0.750  0.250  0.000  1.0
  O  O15  1  0.242  0.250  0.992  1.0
[/CIF]
.
The material described by LiTiO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) 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 six equivalent Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(3) and four O(2,2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ti(2) atoms to form OLi4Ti2 octahedra that share corners with six equivalent O(1)Li4Ti2 octahedra; edges with four equivalent O(3)Li2Ti4 octahedra; and edges with eight O(2,2)Li3Ti3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ti(2), and two equivalent Ti(1) atoms to form OLi3Ti3 octahedra that share corners with six O(2,2)Li3Ti3 octahedra; edges with four equivalent O(3)Li2Ti4 octahedra; edges with four equivalent O(2)Li3Ti3 octahedra; and edges with four equivalent O(1)Li4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(2), two equivalent Ti(1), and two equivalent Ti(2) atoms to form OLi2Ti4 octahedra that share corners with six equivalent O(3)Li2Ti4 octahedra; edges with four equivalent O(1)Li4Ti2 octahedra; and edges with eight O(2,2)Li3Ti3 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Ti(2), and two equivalent Ti(1) atoms to form OLi3Ti3 octahedra that share corners with six O(2,2)Li3Ti3 octahedra; edges with four equivalent O(3)Li2Ti4 octahedra; edges with four equivalent O(2)Li3Ti3 octahedra; and edges with four equivalent O(1)Li4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.831
_cell_length_b   5.831
_cell_length_c   5.831
_cell_angle_alpha   120.491
_cell_angle_beta   120.267
_cell_angle_gamma   89.345
_symmetry_Int_Tables_number   1
_cell_volume   139.372
_cell_formula_units_Z   4
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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Ti  Ti4  1  0.000  0.000  0.000  1.0
  Ti  Ti5  1  0.500  0.000  0.000  1.0
  Ti  Ti6  1  0.500  0.500  0.500  1.0
  Ti  Ti7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.729  0.250  0.479  1.0
  O  O9  1  0.250  0.250  0.500  1.0
  O  O10  1  0.250  0.750  0.000  1.0
  O  O11  1  0.271  0.750  0.521  1.0
  O  O12  1  0.758  0.750  0.008  1.0
  O  O13  1  0.750  0.750  0.500  1.0
  O  O14  1  0.750  0.250  0.000  1.0
  O  O15  1  0.242  0.250  0.992  1.0
[/CIF]
.