The material described by Li2Ti7O15 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), two equivalent O(5), and three equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Ti site, Ti(2) is bonded to one O(6), two equivalent O(3), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Ti site, Ti(3) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OLiTi3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ti(3) atom. In the eighth O site, O(8) is bonded in a square co-planar geometry to four equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_Li2Ti7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.244
_cell_length_b   9.244
_cell_length_c   9.554
_cell_angle_alpha   81.376
_cell_angle_beta   81.376
_cell_angle_gamma   18.612
_symmetry_Int_Tables_number   1
_cell_volume   257.528
_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  0.841  0.841  0.724  1.0
  Li  Li1  1  0.159  0.159  0.276  1.0
  Ti  Ti2  1  0.811  0.811  0.399  1.0
  Ti  Ti3  1  0.682  0.682  0.949  1.0
  Ti  Ti4  1  0.496  0.496  0.661  1.0
  Ti  Ti5  1  0.504  0.504  0.339  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  Ti  Ti7  1  0.318  0.318  0.051  1.0
  Ti  Ti8  1  0.189  0.189  0.601  1.0
  O  O9  1  0.987  0.987  0.211  1.0
  O  O10  1  0.799  0.799  0.925  1.0
  O  O11  1  0.813  0.813  0.184  1.0
  O  O12  1  0.769  0.769  0.597  1.0
  O  O13  1  0.625  0.625  0.608  1.0
  O  O14  1  0.573  0.573  0.992  1.0
  O  O15  1  0.598  0.598  0.302  1.0
  O  O16  1  0.000  0.000  0.500  1.0
  O  O17  1  0.402  0.402  0.698  1.0
  O  O18  1  0.427  0.427  0.008  1.0
  O  O19  1  0.375  0.375  0.392  1.0
  O  O20  1  0.231  0.231  0.403  1.0
  O  O21  1  0.187  0.187  0.816  1.0
  O  O22  1  0.201  0.201  0.075  1.0
  O  O23  1  0.013  0.013  0.789  1.0
[/CIF]
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The material described by Li2Ti7O15 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form LiO4 tetrahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), two equivalent O(5), and three equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Ti site, Ti(2) is bonded to one O(6), two equivalent O(3), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Ti site, Ti(3) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(1) and four equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(4) and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OLiTi3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLiTi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ti(3) atom. In the eighth O site, O(8) is bonded in a square co-planar geometry to four equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_Li2Ti7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.244
_cell_length_b   9.244
_cell_length_c   9.554
_cell_angle_alpha   81.376
_cell_angle_beta   81.376
_cell_angle_gamma   18.612
_symmetry_Int_Tables_number   1
_cell_volume   257.528
_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  0.841  0.841  0.724  1.0
  Li  Li1  1  0.159  0.159  0.276  1.0
  Ti  Ti2  1  0.811  0.811  0.399  1.0
  Ti  Ti3  1  0.682  0.682  0.949  1.0
  Ti  Ti4  1  0.496  0.496  0.661  1.0
  Ti  Ti5  1  0.504  0.504  0.339  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  Ti  Ti7  1  0.318  0.318  0.051  1.0
  Ti  Ti8  1  0.189  0.189  0.601  1.0
  O  O9  1  0.987  0.987  0.211  1.0
  O  O10  1  0.799  0.799  0.925  1.0
  O  O11  1  0.813  0.813  0.184  1.0
  O  O12  1  0.769  0.769  0.597  1.0
  O  O13  1  0.625  0.625  0.608  1.0
  O  O14  1  0.573  0.573  0.992  1.0
  O  O15  1  0.598  0.598  0.302  1.0
  O  O16  1  0.000  0.000  0.500  1.0
  O  O17  1  0.402  0.402  0.698  1.0
  O  O18  1  0.427  0.427  0.008  1.0
  O  O19  1  0.375  0.375  0.392  1.0
  O  O20  1  0.231  0.231  0.403  1.0
  O  O21  1  0.187  0.187  0.816  1.0
  O  O22  1  0.201  0.201  0.075  1.0
  O  O23  1  0.013  0.013  0.789  1.0
[/CIF]
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