The material structure described by LiTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   5.574
_cell_length_c   5.574
_cell_angle_alpha   58.154
_cell_angle_beta   58.154
_cell_angle_gamma   58.154
_symmetry_Int_Tables_number   1
_cell_volume   117.287
_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  0.703  0.703  0.703  1.0
  Ti  Ti1  1  0.986  0.986  0.986  1.0
  Ti  Ti2  1  0.486  0.486  0.486  1.0
  Bi  Bi3  1  0.216  0.216  0.216  1.0
  O  O4  1  0.263  0.822  0.683  1.0
  O  O5  1  0.822  0.683  0.263  1.0
  O  O6  1  0.683  0.263  0.822  1.0
  O  O7  1  0.345  0.766  0.163  1.0
  O  O8  1  0.163  0.345  0.766  1.0
  O  O9  1  0.766  0.163  0.345  1.0
[/CIF]
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The material structure described by LiTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.574
_cell_length_b   5.574
_cell_length_c   5.574
_cell_angle_alpha   58.154
_cell_angle_beta   58.154
_cell_angle_gamma   58.154
_symmetry_Int_Tables_number   1
_cell_volume   117.287
_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  0.703  0.703  0.703  1.0
  Ti  Ti1  1  0.986  0.986  0.986  1.0
  Ti  Ti2  1  0.486  0.486  0.486  1.0
  Bi  Bi3  1  0.216  0.216  0.216  1.0
  O  O4  1  0.263  0.822  0.683  1.0
  O  O5  1  0.822  0.683  0.263  1.0
  O  O6  1  0.683  0.263  0.822  1.0
  O  O7  1  0.345  0.766  0.163  1.0
  O  O8  1  0.163  0.345  0.766  1.0
  O  O9  1  0.766  0.163  0.345  1.0
[/CIF]
.