The material structure described by LiTiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. O(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLi3Ti3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.287
_cell_length_b   5.287
_cell_length_c   5.287
_cell_angle_alpha   32.020
_cell_angle_beta   32.020
_cell_angle_gamma   32.020
_symmetry_Int_Tables_number   1
_cell_volume   36.917
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.254  0.254  0.254  1.0
  O  O3  1  0.746  0.746  0.746  1.0
[/CIF]
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The material structure described by LiTiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. O(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OLi3Ti3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.287
_cell_length_b   5.287
_cell_length_c   5.287
_cell_angle_alpha   32.020
_cell_angle_beta   32.020
_cell_angle_gamma   32.020
_symmetry_Int_Tables_number   1
_cell_volume   36.917
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.254  0.254  0.254  1.0
  O  O3  1  0.746  0.746  0.746  1.0
[/CIF]
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