The material described by Li2Ti7Nb6O30 crystallizes in the trigonal P3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Nb(2)O6 octahedra, and  a faceface with one Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(6) atoms. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ti site, Ti(2) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Nb(4)O6 octahedra and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. In the third Ti site, Ti(3) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with three equivalent Nb(5)O6 octahedra and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form TiO6 octahedra that share corners with three equivalent Nb(4)O6 octahedra and corners with three equivalent Nb(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(7) atoms. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the seventh Ti site, Ti(7) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(2) atoms. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with three equivalent Nb(3)O6 octahedra and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the second Nb site, Nb(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form NbO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the third Nb site, Nb(3) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. In the fourth Nb site, Nb(4) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the fifth Nb site, Nb(5) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form NbO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. In the sixth Nb site, Nb(6) is bonded to three equivalent O(6) and three equivalent O(9) atoms to form NbO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra and corners with three equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-34°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Nb(2), and one Nb(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(7), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(6), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(3), one Ti(5), and one Nb(5) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(2), one Nb(3), and one Nb(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(2) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Ti(4), one Ti(6), and one Nb(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(7), and one Nb(2) atom. is represented by the CIF file [CIF]
data_Li2Ti7Nb6O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   5.204
_cell_length_c   24.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.379
_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  0.333  0.667  0.208  1.0
  Li  Li1  1  0.333  0.667  0.475  1.0
  Ti  Ti2  1  0.000  0.000  0.286  1.0
  Ti  Ti3  1  0.000  0.000  0.884  1.0
  Ti  Ti4  1  0.000  0.000  0.006  1.0
  Ti  Ti5  1  0.000  0.000  0.697  1.0
  Ti  Ti6  1  0.333  0.667  0.978  1.0
  Ti  Ti7  1  0.333  0.667  0.718  1.0
  Ti  Ti8  1  0.333  0.667  0.315  1.0
  Nb  Nb9  1  0.000  0.000  0.413  1.0
  Nb  Nb10  1  0.667  0.333  0.198  1.0
  Nb  Nb11  1  0.667  0.333  0.505  1.0
  Nb  Nb12  1  0.667  0.333  0.804  1.0
  Nb  Nb13  1  0.333  0.667  0.099  1.0
  Nb  Nb14  1  0.333  0.667  0.598  1.0
  O  O15  1  0.592  0.996  0.153  1.0
  O  O16  1  0.687  0.932  0.347  1.0
  O  O17  1  0.670  0.004  0.747  1.0
  O  O18  1  0.968  0.304  0.451  1.0
  O  O19  1  0.651  0.728  0.046  1.0
  O  O20  1  0.077  0.349  0.046  1.0
  O  O21  1  0.696  0.664  0.451  1.0
  O  O22  1  0.996  0.667  0.747  1.0
  O  O23  1  0.244  0.313  0.347  1.0
  O  O24  1  0.004  0.596  0.153  1.0
  O  O25  1  0.333  0.330  0.747  1.0
  O  O26  1  0.068  0.756  0.347  1.0
  O  O27  1  0.007  0.611  0.548  1.0
  O  O28  1  0.404  0.408  0.153  1.0
  O  O29  1  0.061  0.752  0.948  1.0
  O  O30  1  0.272  0.923  0.046  1.0
  O  O31  1  0.945  0.277  0.846  1.0
  O  O32  1  0.336  0.032  0.451  1.0
  O  O33  1  0.254  0.908  0.655  1.0
  O  O34  1  0.006  0.339  0.253  1.0
  O  O35  1  0.332  0.055  0.846  1.0
  O  O36  1  0.092  0.346  0.655  1.0
  O  O37  1  0.333  0.994  0.253  1.0
  O  O38  1  0.604  0.993  0.548  1.0
  O  O39  1  0.248  0.309  0.948  1.0
  O  O40  1  0.691  0.939  0.948  1.0
  O  O41  1  0.389  0.396  0.548  1.0
  O  O42  1  0.661  0.667  0.253  1.0
  O  O43  1  0.654  0.746  0.655  1.0
  O  O44  1  0.723  0.668  0.846  1.0
[/CIF]
.
The material described by Li2Ti7Nb6O30 crystallizes in the trigonal P3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Nb(2)O6 octahedra, and  a faceface with one Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(6) atoms. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ti site, Ti(2) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Nb(4)O6 octahedra and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 36°. In the third Ti site, Ti(3) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with three equivalent Nb(5)O6 octahedra and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form TiO6 octahedra that share corners with three equivalent Nb(4)O6 octahedra and corners with three equivalent Nb(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(7) atoms. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(9) atoms. In the seventh Ti site, Ti(7) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(2) atoms. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with three equivalent Nb(3)O6 octahedra and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the second Nb site, Nb(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form NbO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-54°. In the third Nb site, Nb(3) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. In the fourth Nb site, Nb(4) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the fifth Nb site, Nb(5) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form NbO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. In the sixth Nb site, Nb(6) is bonded to three equivalent O(6) and three equivalent O(9) atoms to form NbO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra and corners with three equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-34°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Nb(2), and one Nb(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(7), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(6), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Nb(1), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(3), one Ti(5), and one Nb(5) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(2), one Nb(3), and one Nb(6) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ti(2) and one Nb(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Ti(4), one Ti(6), and one Nb(6) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(7), and one Nb(2) atom. is represented by the CIF file [CIF]
data_Li2Ti7Nb6O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   5.204
_cell_length_c   24.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   563.379
_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  0.333  0.667  0.208  1.0
  Li  Li1  1  0.333  0.667  0.475  1.0
  Ti  Ti2  1  0.000  0.000  0.286  1.0
  Ti  Ti3  1  0.000  0.000  0.884  1.0
  Ti  Ti4  1  0.000  0.000  0.006  1.0
  Ti  Ti5  1  0.000  0.000  0.697  1.0
  Ti  Ti6  1  0.333  0.667  0.978  1.0
  Ti  Ti7  1  0.333  0.667  0.718  1.0
  Ti  Ti8  1  0.333  0.667  0.315  1.0
  Nb  Nb9  1  0.000  0.000  0.413  1.0
  Nb  Nb10  1  0.667  0.333  0.198  1.0
  Nb  Nb11  1  0.667  0.333  0.505  1.0
  Nb  Nb12  1  0.667  0.333  0.804  1.0
  Nb  Nb13  1  0.333  0.667  0.099  1.0
  Nb  Nb14  1  0.333  0.667  0.598  1.0
  O  O15  1  0.592  0.996  0.153  1.0
  O  O16  1  0.687  0.932  0.347  1.0
  O  O17  1  0.670  0.004  0.747  1.0
  O  O18  1  0.968  0.304  0.451  1.0
  O  O19  1  0.651  0.728  0.046  1.0
  O  O20  1  0.077  0.349  0.046  1.0
  O  O21  1  0.696  0.664  0.451  1.0
  O  O22  1  0.996  0.667  0.747  1.0
  O  O23  1  0.244  0.313  0.347  1.0
  O  O24  1  0.004  0.596  0.153  1.0
  O  O25  1  0.333  0.330  0.747  1.0
  O  O26  1  0.068  0.756  0.347  1.0
  O  O27  1  0.007  0.611  0.548  1.0
  O  O28  1  0.404  0.408  0.153  1.0
  O  O29  1  0.061  0.752  0.948  1.0
  O  O30  1  0.272  0.923  0.046  1.0
  O  O31  1  0.945  0.277  0.846  1.0
  O  O32  1  0.336  0.032  0.451  1.0
  O  O33  1  0.254  0.908  0.655  1.0
  O  O34  1  0.006  0.339  0.253  1.0
  O  O35  1  0.332  0.055  0.846  1.0
  O  O36  1  0.092  0.346  0.655  1.0
  O  O37  1  0.333  0.994  0.253  1.0
  O  O38  1  0.604  0.993  0.548  1.0
  O  O39  1  0.248  0.309  0.948  1.0
  O  O40  1  0.691  0.939  0.948  1.0
  O  O41  1  0.389  0.396  0.548  1.0
  O  O42  1  0.661  0.667  0.253  1.0
  O  O43  1  0.654  0.746  0.655  1.0
  O  O44  1  0.723  0.668  0.846  1.0
[/CIF]
.