The material described by Li9Ti7Nb5O30 is Ilmenite-derived structured and crystallizes in the trigonal P3 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(6) and three equivalent O(9) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(7) and three equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Nb(4)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(6) atoms. In the eighth Li site, Li(8) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form distorted LiO6 octahedra that share edges with three equivalent Nb(2)O6 octahedra,  a faceface with one Ti(6)O6 octahedra, and  a faceface with one Nb(5)O6 octahedra. In the ninth Li site, Li(9) 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(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-42°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(7) atoms. In the third Ti site, Ti(3) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, edges with three equivalent Ti(3)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fifth Ti site, Ti(5) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form a mixture of distorted corner and face-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the sixth Ti site, Ti(6) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Nb(2)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(6) and three equivalent O(9) atoms to form TiO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are five 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 corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. 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(6)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. In the third Nb site, Nb(3) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form NbO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. 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(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-55°. In the fifth Nb site, Nb(5) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Li(2), one Li(8), one Ti(6), and one Nb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Nb(1), and one Nb(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(3), one Ti(4), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), one Li(7), one Li(9), one Nb(1), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(2), one Ti(5), and one Ti(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(7), one Li(9), one Ti(7), and one Nb(3) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(5), one Ti(1), one Ti(2), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(6), one Ti(1), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(4), one Ti(3), one Ti(4), and one Ti(7) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(8), one Nb(2), and one Nb(5) atom to form a mixture of distorted corner and edge-sharing OLi2Nb2 tetrahedra. is represented by the CIF card [CIF]
data_Li9Ti7Nb5O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   24.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   559.931
_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  0.000  0.000  0.275  1.0
  Li  Li1  1  0.667  0.333  0.082  1.0
  Li  Li2  1  0.667  0.333  0.373  1.0
  Li  Li3  1  0.667  0.333  0.627  1.0
  Li  Li4  1  0.667  0.333  0.924  1.0
  Li  Li5  1  0.000  0.000  0.793  1.0
  Li  Li6  1  0.000  0.000  0.527  1.0
  Li  Li7  1  0.333  0.667  0.204  1.0
  Li  Li8  1  0.333  0.667  0.475  1.0
  Ti  Ti9  1  0.000  0.000  0.896  1.0
  Ti  Ti10  1  0.000  0.000  0.015  1.0
  Ti  Ti11  1  0.000  0.000  0.686  1.0
  Ti  Ti12  1  0.333  0.667  0.714  1.0
  Ti  Ti13  1  0.333  0.667  0.985  1.0
  Ti  Ti14  1  0.333  0.667  0.107  1.0
  Ti  Ti15  1  0.333  0.667  0.592  1.0
  Nb  Nb16  1  0.000  0.000  0.403  1.0
  Nb  Nb17  1  0.667  0.333  0.204  1.0
  Nb  Nb18  1  0.667  0.333  0.502  1.0
  Nb  Nb19  1  0.667  0.333  0.803  1.0
  Nb  Nb20  1  0.333  0.667  0.308  1.0
  O  O21  1  0.585  0.001  0.149  1.0
  O  O22  1  0.673  0.965  0.352  1.0
  O  O23  1  0.676  0.996  0.746  1.0
  O  O24  1  0.958  0.290  0.453  1.0
  O  O25  1  0.644  0.700  0.046  1.0
  O  O26  1  0.055  0.356  0.046  1.0
  O  O27  1  0.710  0.668  0.453  1.0
  O  O28  1  0.004  0.679  0.746  1.0
  O  O29  1  0.292  0.327  0.352  1.0
  O  O30  1  0.999  0.584  0.149  1.0
  O  O31  1  0.321  0.324  0.746  1.0
  O  O32  1  0.035  0.708  0.352  1.0
  O  O33  1  0.005  0.626  0.551  1.0
  O  O34  1  0.416  0.415  0.149  1.0
  O  O35  1  0.033  0.720  0.951  1.0
  O  O36  1  0.300  0.945  0.046  1.0
  O  O37  1  0.925  0.257  0.848  1.0
  O  O38  1  0.332  0.042  0.453  1.0
  O  O39  1  0.293  0.942  0.653  1.0
  O  O40  1  0.004  0.380  0.253  1.0
  O  O41  1  0.332  0.075  0.848  1.0
  O  O42  1  0.058  0.352  0.653  1.0
  O  O43  1  0.375  0.996  0.253  1.0
  O  O44  1  0.621  0.995  0.551  1.0
  O  O45  1  0.280  0.313  0.951  1.0
  O  O46  1  0.687  0.967  0.951  1.0
  O  O47  1  0.374  0.379  0.551  1.0
  O  O48  1  0.620  0.625  0.253  1.0
  O  O49  1  0.648  0.707  0.653  1.0
  O  O50  1  0.743  0.668  0.848  1.0
[/CIF]
.
The material described by Li9Ti7Nb5O30 is Ilmenite-derived structured and crystallizes in the trigonal P3 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(6) and three equivalent O(9) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(7) and three equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Nb(4)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(6) atoms. In the eighth Li site, Li(8) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form distorted LiO6 octahedra that share edges with three equivalent Nb(2)O6 octahedra,  a faceface with one Ti(6)O6 octahedra, and  a faceface with one Nb(5)O6 octahedra. In the ninth Li site, Li(9) 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(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-42°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(7) atoms. In the third Ti site, Ti(3) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, edges with three equivalent Ti(3)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fifth Ti site, Ti(5) is bonded to three equivalent O(5) and three equivalent O(7) atoms to form a mixture of distorted corner and face-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the sixth Ti site, Ti(6) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Nb(2)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(6) and three equivalent O(9) atoms to form TiO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are five 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 corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. 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(6)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. In the third Nb site, Nb(3) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form NbO6 octahedra that share corners with three equivalent Ti(7)O6 octahedra and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. 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(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-55°. In the fifth Nb site, Nb(5) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Li(2), one Li(8), one Ti(6), and one Nb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Nb(1), and one Nb(5) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(3), one Ti(4), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), one Li(7), one Li(9), one Nb(1), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(2), one Ti(5), and one Ti(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(7), one Li(9), one Ti(7), and one Nb(3) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(5), one Ti(1), one Ti(2), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(6), one Ti(1), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(4), one Ti(3), one Ti(4), and one Ti(7) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(8), one Nb(2), and one Nb(5) atom to form a mixture of distorted corner and edge-sharing OLi2Nb2 tetrahedra. is represented by the CIF card [CIF]
data_Li9Ti7Nb5O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.172
_cell_length_c   24.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   559.931
_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  0.000  0.000  0.275  1.0
  Li  Li1  1  0.667  0.333  0.082  1.0
  Li  Li2  1  0.667  0.333  0.373  1.0
  Li  Li3  1  0.667  0.333  0.627  1.0
  Li  Li4  1  0.667  0.333  0.924  1.0
  Li  Li5  1  0.000  0.000  0.793  1.0
  Li  Li6  1  0.000  0.000  0.527  1.0
  Li  Li7  1  0.333  0.667  0.204  1.0
  Li  Li8  1  0.333  0.667  0.475  1.0
  Ti  Ti9  1  0.000  0.000  0.896  1.0
  Ti  Ti10  1  0.000  0.000  0.015  1.0
  Ti  Ti11  1  0.000  0.000  0.686  1.0
  Ti  Ti12  1  0.333  0.667  0.714  1.0
  Ti  Ti13  1  0.333  0.667  0.985  1.0
  Ti  Ti14  1  0.333  0.667  0.107  1.0
  Ti  Ti15  1  0.333  0.667  0.592  1.0
  Nb  Nb16  1  0.000  0.000  0.403  1.0
  Nb  Nb17  1  0.667  0.333  0.204  1.0
  Nb  Nb18  1  0.667  0.333  0.502  1.0
  Nb  Nb19  1  0.667  0.333  0.803  1.0
  Nb  Nb20  1  0.333  0.667  0.308  1.0
  O  O21  1  0.585  0.001  0.149  1.0
  O  O22  1  0.673  0.965  0.352  1.0
  O  O23  1  0.676  0.996  0.746  1.0
  O  O24  1  0.958  0.290  0.453  1.0
  O  O25  1  0.644  0.700  0.046  1.0
  O  O26  1  0.055  0.356  0.046  1.0
  O  O27  1  0.710  0.668  0.453  1.0
  O  O28  1  0.004  0.679  0.746  1.0
  O  O29  1  0.292  0.327  0.352  1.0
  O  O30  1  0.999  0.584  0.149  1.0
  O  O31  1  0.321  0.324  0.746  1.0
  O  O32  1  0.035  0.708  0.352  1.0
  O  O33  1  0.005  0.626  0.551  1.0
  O  O34  1  0.416  0.415  0.149  1.0
  O  O35  1  0.033  0.720  0.951  1.0
  O  O36  1  0.300  0.945  0.046  1.0
  O  O37  1  0.925  0.257  0.848  1.0
  O  O38  1  0.332  0.042  0.453  1.0
  O  O39  1  0.293  0.942  0.653  1.0
  O  O40  1  0.004  0.380  0.253  1.0
  O  O41  1  0.332  0.075  0.848  1.0
  O  O42  1  0.058  0.352  0.653  1.0
  O  O43  1  0.375  0.996  0.253  1.0
  O  O44  1  0.621  0.995  0.551  1.0
  O  O45  1  0.280  0.313  0.951  1.0
  O  O46  1  0.687  0.967  0.951  1.0
  O  O47  1  0.374  0.379  0.551  1.0
  O  O48  1  0.620  0.625  0.253  1.0
  O  O49  1  0.648  0.707  0.653  1.0
  O  O50  1  0.743  0.668  0.848  1.0
[/CIF]
.