The compound described by LiTiO2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing TiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner, edge, and face-sharing OLi3Ti3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 1-45°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of corner, edge, and face-sharing OLi3Ti3 octahedra. is represented by the CIF card [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.491
_cell_length_c   5.491
_cell_angle_alpha   30.813
_cell_angle_beta   30.813
_cell_angle_gamma   30.813
_symmetry_Int_Tables_number   1
_cell_volume   38.522
_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  0.828  0.828  0.828  1.0
  Ti  Ti1  1  0.001  0.001  0.001  1.0
  O  O2  1  0.593  0.593  0.593  1.0
  O  O3  1  0.411  0.411  0.411  1.0
[/CIF]
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The compound described by LiTiO2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing TiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner, edge, and face-sharing OLi3Ti3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 1-45°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Ti(1) atoms to form a mixture of corner, edge, and face-sharing OLi3Ti3 octahedra. is represented by the CIF card [CIF]
data_LiTiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.491
_cell_length_c   5.491
_cell_angle_alpha   30.813
_cell_angle_beta   30.813
_cell_angle_gamma   30.813
_symmetry_Int_Tables_number   1
_cell_volume   38.522
_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  0.828  0.828  0.828  1.0
  Ti  Ti1  1  0.001  0.001  0.001  1.0
  O  O2  1  0.593  0.593  0.593  1.0
  O  O3  1  0.411  0.411  0.411  1.0
[/CIF]
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