The material structure described by Li8Ti6Mn7O30 is Ilmenite-derived structured and crystallizes in the trigonal P3 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. In the sixth Li site, Li(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, edges with three equivalent Ti(6)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh Li site, Li(7) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a faceface with one Li(7)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the third Ti site, Ti(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and  a faceface with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. In the fifth Ti site, Ti(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form MnO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Mn(7)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Mn site, Mn(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the fourth Mn site, Mn(4) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the fifth Mn site, Mn(5) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Mn(6)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the sixth Mn site, Mn(6) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Mn(5)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the seventh Mn site, Mn(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(7), one Ti(2), and one Ti(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(3), one Li(5), one Li(8), one Ti(3), and one Ti(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(6), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Ti(6), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(8), one Ti(1), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(3), one Ti(3), one Mn(5), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(7), one Ti(4), one Mn(1), and one Mn(7) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(2), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Ti6Mn7O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.008
_cell_length_c   23.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.022
_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  0.920  1.0
  Li  Li1  1  0.000  0.000  0.626  1.0
  Li  Li2  1  0.000  0.000  0.373  1.0
  Li  Li3  1  0.000  0.000  0.082  1.0
  Li  Li4  1  0.667  0.333  0.472  1.0
  Li  Li5  1  0.667  0.333  0.205  1.0
  Li  Li6  1  0.333  0.667  0.793  1.0
  Li  Li7  1  0.333  0.667  0.527  1.0
  Ti  Ti8  1  0.667  0.333  0.589  1.0
  Ti  Ti9  1  0.333  0.667  0.892  1.0
  Ti  Ti10  1  0.333  0.667  0.410  1.0
  Ti  Ti11  1  0.000  0.000  0.800  1.0
  Ti  Ti12  1  0.000  0.000  0.499  1.0
  Ti  Ti13  1  0.000  0.000  0.197  1.0
  Mn  Mn14  1  0.667  0.333  0.707  1.0
  Mn  Mn15  1  0.667  0.333  0.994  1.0
  Mn  Mn16  1  0.667  0.333  0.106  1.0
  Mn  Mn17  1  0.333  0.667  0.009  1.0
  Mn  Mn18  1  0.333  0.667  0.292  1.0
  Mn  Mn19  1  0.667  0.333  0.305  1.0
  Mn  Mn20  1  0.333  0.667  0.694  1.0
  O  O21  1  0.263  0.329  0.848  1.0
  O  O22  1  0.039  0.707  0.451  1.0
  O  O23  1  0.387  0.368  0.654  1.0
  O  O24  1  0.348  0.335  0.254  1.0
  O  O25  1  0.972  0.618  0.048  1.0
  O  O26  1  0.332  0.068  0.150  1.0
  O  O27  1  0.331  0.038  0.550  1.0
  O  O28  1  0.019  0.388  0.346  1.0
  O  O29  1  0.333  0.986  0.745  1.0
  O  O30  1  0.621  0.645  0.956  1.0
  O  O31  1  0.355  0.975  0.956  1.0
  O  O32  1  0.932  0.264  0.150  1.0
  O  O33  1  0.369  0.981  0.346  1.0
  O  O34  1  0.014  0.347  0.745  1.0
  O  O35  1  0.707  0.669  0.550  1.0
  O  O36  1  0.293  0.332  0.451  1.0
  O  O37  1  0.986  0.652  0.254  1.0
  O  O38  1  0.632  0.019  0.654  1.0
  O  O39  1  0.066  0.737  0.848  1.0
  O  O40  1  0.646  0.028  0.048  1.0
  O  O41  1  0.382  0.354  0.048  1.0
  O  O42  1  0.665  0.014  0.254  1.0
  O  O43  1  0.981  0.613  0.654  1.0
  O  O44  1  0.668  0.961  0.451  1.0
  O  O45  1  0.671  0.934  0.848  1.0
  O  O46  1  0.025  0.379  0.956  1.0
  O  O47  1  0.653  0.667  0.745  1.0
  O  O48  1  0.612  0.631  0.346  1.0
  O  O49  1  0.962  0.293  0.550  1.0
  O  O50  1  0.736  0.668  0.150  1.0
[/CIF]
.
The material structure described by Li8Ti6Mn7O30 is Ilmenite-derived structured and crystallizes in the trigonal P3 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. In the sixth Li site, Li(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, edges with three equivalent Ti(6)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh Li site, Li(7) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(7) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(10) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a faceface with one Li(7)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the third Ti site, Ti(3) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and  a faceface with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(1) and three equivalent O(9) atoms to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. In the fifth Ti site, Ti(5) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form MnO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Mn(7)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Mn site, Mn(2) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Mn site, Mn(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the fourth Mn site, Mn(4) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the fifth Mn site, Mn(5) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Mn(6)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the sixth Mn site, Mn(6) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Mn(5)O6 octahedra, and  a faceface with one Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the seventh Mn site, Mn(7) is bonded to three equivalent O(3) and three equivalent O(9) atoms to form MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(7), one Ti(2), and one Ti(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(3), one Li(5), one Li(8), one Ti(3), and one Ti(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ti(6), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Ti(6), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(8), one Ti(1), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(3), one Ti(3), one Mn(5), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(7), one Ti(4), one Mn(1), and one Mn(7) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(2), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8Ti6Mn7O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.008
_cell_length_c   23.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   514.022
_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  0.920  1.0
  Li  Li1  1  0.000  0.000  0.626  1.0
  Li  Li2  1  0.000  0.000  0.373  1.0
  Li  Li3  1  0.000  0.000  0.082  1.0
  Li  Li4  1  0.667  0.333  0.472  1.0
  Li  Li5  1  0.667  0.333  0.205  1.0
  Li  Li6  1  0.333  0.667  0.793  1.0
  Li  Li7  1  0.333  0.667  0.527  1.0
  Ti  Ti8  1  0.667  0.333  0.589  1.0
  Ti  Ti9  1  0.333  0.667  0.892  1.0
  Ti  Ti10  1  0.333  0.667  0.410  1.0
  Ti  Ti11  1  0.000  0.000  0.800  1.0
  Ti  Ti12  1  0.000  0.000  0.499  1.0
  Ti  Ti13  1  0.000  0.000  0.197  1.0
  Mn  Mn14  1  0.667  0.333  0.707  1.0
  Mn  Mn15  1  0.667  0.333  0.994  1.0
  Mn  Mn16  1  0.667  0.333  0.106  1.0
  Mn  Mn17  1  0.333  0.667  0.009  1.0
  Mn  Mn18  1  0.333  0.667  0.292  1.0
  Mn  Mn19  1  0.667  0.333  0.305  1.0
  Mn  Mn20  1  0.333  0.667  0.694  1.0
  O  O21  1  0.263  0.329  0.848  1.0
  O  O22  1  0.039  0.707  0.451  1.0
  O  O23  1  0.387  0.368  0.654  1.0
  O  O24  1  0.348  0.335  0.254  1.0
  O  O25  1  0.972  0.618  0.048  1.0
  O  O26  1  0.332  0.068  0.150  1.0
  O  O27  1  0.331  0.038  0.550  1.0
  O  O28  1  0.019  0.388  0.346  1.0
  O  O29  1  0.333  0.986  0.745  1.0
  O  O30  1  0.621  0.645  0.956  1.0
  O  O31  1  0.355  0.975  0.956  1.0
  O  O32  1  0.932  0.264  0.150  1.0
  O  O33  1  0.369  0.981  0.346  1.0
  O  O34  1  0.014  0.347  0.745  1.0
  O  O35  1  0.707  0.669  0.550  1.0
  O  O36  1  0.293  0.332  0.451  1.0
  O  O37  1  0.986  0.652  0.254  1.0
  O  O38  1  0.632  0.019  0.654  1.0
  O  O39  1  0.066  0.737  0.848  1.0
  O  O40  1  0.646  0.028  0.048  1.0
  O  O41  1  0.382  0.354  0.048  1.0
  O  O42  1  0.665  0.014  0.254  1.0
  O  O43  1  0.981  0.613  0.654  1.0
  O  O44  1  0.668  0.961  0.451  1.0
  O  O45  1  0.671  0.934  0.848  1.0
  O  O46  1  0.025  0.379  0.956  1.0
  O  O47  1  0.653  0.667  0.745  1.0
  O  O48  1  0.612  0.631  0.346  1.0
  O  O49  1  0.962  0.293  0.550  1.0
  O  O50  1  0.736  0.668  0.150  1.0
[/CIF]
.