The structure described by Li2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with five equivalent Ti(1)O6 octahedra, and edges with seven equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with ten equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) 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 0-2°. In the second O site, O(2) is bonded to four equivalent Li(1) 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 0-12°. is represented by the CIF file [CIF]
data_Li2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   5.170
_cell_length_c   5.170
_cell_angle_alpha   146.876
_cell_angle_beta   134.635
_cell_angle_gamma   57.311
_symmetry_Int_Tables_number   1
_cell_volume   53.315
_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  0.670  0.670  0.000  1.0
  Li  Li1  1  0.330  0.330  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.148  0.648  0.500  1.0
  O  O5  1  0.852  0.352  0.500  1.0
[/CIF]
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The structure described by Li2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with five equivalent Ti(1)O6 octahedra, and edges with seven equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with ten equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) 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 0-2°. In the second O site, O(2) is bonded to four equivalent Li(1) 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 0-12°. is represented by the CIF file [CIF]
data_Li2TiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   5.170
_cell_length_c   5.170
_cell_angle_alpha   146.876
_cell_angle_beta   134.635
_cell_angle_gamma   57.311
_symmetry_Int_Tables_number   1
_cell_volume   53.315
_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  0.670  0.670  0.000  1.0
  Li  Li1  1  0.330  0.330  0.000  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.148  0.648  0.500  1.0
  O  O5  1  0.852  0.352  0.500  1.0
[/CIF]
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