The structure described by LiTiO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc 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 pentagonal pyramids, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ti(1)O6 pentagonal pyramids. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 pentagonal pyramids 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 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. O(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of edge, face, and corner-sharing OLi3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF file [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.877
_cell_length_b   2.877
_cell_length_c   10.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   73.319
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.667  0.333  0.750  1.0
  Ti  Ti3  1  0.333  0.667  0.250  1.0
  O  O4  1  0.667  0.333  0.129  1.0
  O  O5  1  0.667  0.333  0.371  1.0
  O  O6  1  0.333  0.667  0.871  1.0
  O  O7  1  0.333  0.667  0.629  1.0
[/CIF]
.
The structure described by LiTiO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc 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 pentagonal pyramids, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Ti(1)O6 pentagonal pyramids. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 pentagonal pyramids 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 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. O(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of edge, face, and corner-sharing OLi3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF file [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.877
_cell_length_b   2.877
_cell_length_c   10.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   73.319
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.667  0.333  0.750  1.0
  Ti  Ti3  1  0.333  0.667  0.250  1.0
  O  O4  1  0.667  0.333  0.129  1.0
  O  O5  1  0.667  0.333  0.371  1.0
  O  O6  1  0.333  0.667  0.871  1.0
  O  O7  1  0.333  0.667  0.629  1.0
[/CIF]
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