The material structure described by Li2Ti3(BiO3)4 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Ti(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ti(1) and two equivalent Bi(2) atoms to form distorted edge-sharing OTi2Bi2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.683
_cell_length_b   16.683
_cell_length_c   5.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.290
_symmetry_Int_Tables_number   1
_cell_volume   536.860
_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  0.927  0.564  0.229  1.0
  Li  Li1  1  0.564  0.927  0.771  1.0
  Li  Li2  1  0.427  0.064  0.271  1.0
  Li  Li3  1  0.064  0.427  0.729  1.0
  Ti  Ti4  1  0.366  0.603  0.980  1.0
  Ti  Ti5  1  0.012  0.012  0.500  1.0
  Ti  Ti6  1  0.603  0.366  0.020  1.0
  Ti  Ti7  1  0.103  0.866  0.480  1.0
  Ti  Ti8  1  0.866  0.103  0.520  1.0
  Ti  Ti9  1  0.512  0.512  0.000  1.0
  Bi  Bi10  1  0.319  0.743  0.373  1.0
  Bi  Bi11  1  0.932  0.057  0.030  1.0
  Bi  Bi12  1  0.057  0.932  0.970  1.0
  Bi  Bi13  1  0.432  0.557  0.470  1.0
  Bi  Bi14  1  0.243  0.819  0.873  1.0
  Bi  Bi15  1  0.819  0.243  0.127  1.0
  Bi  Bi16  1  0.557  0.432  0.530  1.0
  Bi  Bi17  1  0.743  0.319  0.627  1.0
  O  O18  1  0.012  0.529  0.261  1.0
  O  O19  1  0.456  0.571  0.919  1.0
  O  O20  1  0.339  0.092  0.221  1.0
  O  O21  1  0.592  0.839  0.721  1.0
  O  O22  1  0.754  0.780  0.248  1.0
  O  O23  1  0.839  0.592  0.279  1.0
  O  O24  1  0.092  0.339  0.779  1.0
  O  O25  1  0.071  0.956  0.419  1.0
  O  O26  1  0.860  0.651  0.758  1.0
  O  O27  1  0.651  0.860  0.242  1.0
  O  O28  1  0.571  0.456  0.081  1.0
  O  O29  1  0.330  0.682  0.025  1.0
  O  O30  1  0.512  0.029  0.239  1.0
  O  O31  1  0.360  0.151  0.742  1.0
  O  O32  1  0.780  0.754  0.752  1.0
  O  O33  1  0.182  0.830  0.525  1.0
  O  O34  1  0.254  0.280  0.252  1.0
  O  O35  1  0.830  0.182  0.475  1.0
  O  O36  1  0.529  0.012  0.739  1.0
  O  O37  1  0.956  0.071  0.581  1.0
  O  O38  1  0.151  0.360  0.258  1.0
  O  O39  1  0.029  0.512  0.761  1.0
  O  O40  1  0.280  0.254  0.748  1.0
  O  O41  1  0.682  0.330  0.975  1.0
[/CIF]
.
The material structure described by Li2Ti3(BiO3)4 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Ti(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ti(1) and two equivalent Bi(2) atoms to form distorted edge-sharing OTi2Bi2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.683
_cell_length_b   16.683
_cell_length_c   5.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   160.290
_symmetry_Int_Tables_number   1
_cell_volume   536.860
_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  0.927  0.564  0.229  1.0
  Li  Li1  1  0.564  0.927  0.771  1.0
  Li  Li2  1  0.427  0.064  0.271  1.0
  Li  Li3  1  0.064  0.427  0.729  1.0
  Ti  Ti4  1  0.366  0.603  0.980  1.0
  Ti  Ti5  1  0.012  0.012  0.500  1.0
  Ti  Ti6  1  0.603  0.366  0.020  1.0
  Ti  Ti7  1  0.103  0.866  0.480  1.0
  Ti  Ti8  1  0.866  0.103  0.520  1.0
  Ti  Ti9  1  0.512  0.512  0.000  1.0
  Bi  Bi10  1  0.319  0.743  0.373  1.0
  Bi  Bi11  1  0.932  0.057  0.030  1.0
  Bi  Bi12  1  0.057  0.932  0.970  1.0
  Bi  Bi13  1  0.432  0.557  0.470  1.0
  Bi  Bi14  1  0.243  0.819  0.873  1.0
  Bi  Bi15  1  0.819  0.243  0.127  1.0
  Bi  Bi16  1  0.557  0.432  0.530  1.0
  Bi  Bi17  1  0.743  0.319  0.627  1.0
  O  O18  1  0.012  0.529  0.261  1.0
  O  O19  1  0.456  0.571  0.919  1.0
  O  O20  1  0.339  0.092  0.221  1.0
  O  O21  1  0.592  0.839  0.721  1.0
  O  O22  1  0.754  0.780  0.248  1.0
  O  O23  1  0.839  0.592  0.279  1.0
  O  O24  1  0.092  0.339  0.779  1.0
  O  O25  1  0.071  0.956  0.419  1.0
  O  O26  1  0.860  0.651  0.758  1.0
  O  O27  1  0.651  0.860  0.242  1.0
  O  O28  1  0.571  0.456  0.081  1.0
  O  O29  1  0.330  0.682  0.025  1.0
  O  O30  1  0.512  0.029  0.239  1.0
  O  O31  1  0.360  0.151  0.742  1.0
  O  O32  1  0.780  0.754  0.752  1.0
  O  O33  1  0.182  0.830  0.525  1.0
  O  O34  1  0.254  0.280  0.252  1.0
  O  O35  1  0.830  0.182  0.475  1.0
  O  O36  1  0.529  0.012  0.739  1.0
  O  O37  1  0.956  0.071  0.581  1.0
  O  O38  1  0.151  0.360  0.258  1.0
  O  O39  1  0.029  0.512  0.761  1.0
  O  O40  1  0.280  0.254  0.748  1.0
  O  O41  1  0.682  0.330  0.975  1.0
[/CIF]
.