The structure described by Li9Ti7Cr6O30 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(4) and three equivalent O(7) atoms. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Ti(7)O6 octahedra, and  a faceface with one Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to three equivalent O(4) and three equivalent O(7) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to three equivalent O(6) atoms. In the seventh Li site, Li(7) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the eighth Li site, Li(8) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Cr(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to three equivalent O(5) 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(1) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the third Ti site, Ti(3) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, and  a faceface with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, edges with three equivalent Li(2)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. In the fourth Cr site, Cr(4) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the fifth Cr site, Cr(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the sixth Cr site, Cr(6) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Li(2), one Li(7), one Li(8), one Ti(7), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OLi3TiCr trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Cr(1), and one Cr(5) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Ti(3), one Ti(6), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(9), one Ti(4), one Ti(5), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(6), one Li(9), one Cr(1), and one Cr(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OLi2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(5), one Ti(1), one Ti(2), and one Cr(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(3), one Ti(6), and one Ti(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(8), one Ti(4), one Ti(5), and one Cr(6) atom. is represented by the CIF card [CIF]
data_Li9Ti7Cr6O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   23.312
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   522.411
_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  0.913  1.0
  Li  Li1  1  0.000  0.000  0.083  1.0
  Li  Li2  1  0.667  0.333  0.858  1.0
  Li  Li3  1  0.333  0.667  0.535  1.0
  Li  Li4  1  0.000  0.000  0.626  1.0
  Li  Li5  1  0.667  0.333  0.457  1.0
  Li  Li6  1  0.333  0.667  0.143  1.0
  Li  Li7  1  0.667  0.333  0.208  1.0
  Li  Li8  1  0.000  0.000  0.382  1.0
  Ti  Ti9  1  0.667  0.333  0.712  1.0
  Ti  Ti10  1  0.333  0.667  0.690  1.0
  Ti  Ti11  1  0.667  0.333  0.982  1.0
  Ti  Ti12  1  0.333  0.667  0.288  1.0
  Ti  Ti13  1  0.667  0.333  0.317  1.0
  Ti  Ti14  1  0.333  0.667  0.005  1.0
  Ti  Ti15  1  0.667  0.333  0.107  1.0
  Cr  Cr16  1  0.000  0.000  0.502  1.0
  Cr  Cr17  1  0.000  0.000  0.790  1.0
  Cr  Cr18  1  0.333  0.667  0.877  1.0
  Cr  Cr19  1  0.333  0.667  0.414  1.0
  Cr  Cr20  1  0.667  0.333  0.589  1.0
  Cr  Cr21  1  0.000  0.000  0.203  1.0
  O  O22  1  0.001  0.330  0.744  1.0
  O  O23  1  0.332  0.047  0.149  1.0
  O  O24  1  0.334  0.045  0.549  1.0
  O  O25  1  0.014  0.390  0.943  1.0
  O  O26  1  0.016  0.391  0.352  1.0
  O  O27  1  0.289  0.333  0.454  1.0
  O  O28  1  0.290  0.334  0.846  1.0
  O  O29  1  0.619  0.014  0.650  1.0
  O  O30  1  0.627  0.014  0.044  1.0
  O  O31  1  0.341  0.333  0.255  1.0
  O  O32  1  0.667  0.007  0.255  1.0
  O  O33  1  0.044  0.710  0.846  1.0
  O  O34  1  0.387  0.373  0.044  1.0
  O  O35  1  0.044  0.711  0.454  1.0
  O  O36  1  0.395  0.381  0.650  1.0
  O  O37  1  0.609  0.625  0.352  1.0
  O  O38  1  0.610  0.623  0.943  1.0
  O  O39  1  0.955  0.288  0.549  1.0
  O  O40  1  0.953  0.285  0.149  1.0
  O  O41  1  0.329  0.999  0.744  1.0
  O  O42  1  0.377  0.986  0.943  1.0
  O  O43  1  0.670  0.671  0.744  1.0
  O  O44  1  0.712  0.666  0.549  1.0
  O  O45  1  0.375  0.984  0.352  1.0
  O  O46  1  0.715  0.668  0.149  1.0
  O  O47  1  0.986  0.605  0.650  1.0
  O  O48  1  0.666  0.956  0.846  1.0
  O  O49  1  0.986  0.613  0.044  1.0
  O  O50  1  0.667  0.956  0.454  1.0
  O  O51  1  0.993  0.659  0.255  1.0
[/CIF]
.
The structure described by Li9Ti7Cr6O30 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(4) and three equivalent O(7) atoms. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Ti(7)O6 octahedra, and  a faceface with one Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to three equivalent O(4) and three equivalent O(7) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to three equivalent O(6) atoms. In the seventh Li site, Li(7) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the eighth Li site, Li(8) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Cr(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to three equivalent O(5) 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(1) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the third Ti site, Ti(3) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, and  a faceface with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, edges with three equivalent Li(2)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. In the fourth Cr site, Cr(4) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the fifth Cr site, Cr(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the sixth Cr site, Cr(6) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Li(2), one Li(7), one Li(8), one Ti(7), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OLi3TiCr trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Cr(1), and one Cr(5) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Ti(3), one Ti(6), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(9), one Ti(4), one Ti(5), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(6), one Li(9), one Cr(1), and one Cr(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OLi2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(5), one Ti(1), one Ti(2), and one Cr(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(3), one Ti(6), and one Ti(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(8), one Ti(4), one Ti(5), and one Cr(6) atom. is represented by the CIF card [CIF]
data_Li9Ti7Cr6O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   23.312
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   522.411
_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  0.913  1.0
  Li  Li1  1  0.000  0.000  0.083  1.0
  Li  Li2  1  0.667  0.333  0.858  1.0
  Li  Li3  1  0.333  0.667  0.535  1.0
  Li  Li4  1  0.000  0.000  0.626  1.0
  Li  Li5  1  0.667  0.333  0.457  1.0
  Li  Li6  1  0.333  0.667  0.143  1.0
  Li  Li7  1  0.667  0.333  0.208  1.0
  Li  Li8  1  0.000  0.000  0.382  1.0
  Ti  Ti9  1  0.667  0.333  0.712  1.0
  Ti  Ti10  1  0.333  0.667  0.690  1.0
  Ti  Ti11  1  0.667  0.333  0.982  1.0
  Ti  Ti12  1  0.333  0.667  0.288  1.0
  Ti  Ti13  1  0.667  0.333  0.317  1.0
  Ti  Ti14  1  0.333  0.667  0.005  1.0
  Ti  Ti15  1  0.667  0.333  0.107  1.0
  Cr  Cr16  1  0.000  0.000  0.502  1.0
  Cr  Cr17  1  0.000  0.000  0.790  1.0
  Cr  Cr18  1  0.333  0.667  0.877  1.0
  Cr  Cr19  1  0.333  0.667  0.414  1.0
  Cr  Cr20  1  0.667  0.333  0.589  1.0
  Cr  Cr21  1  0.000  0.000  0.203  1.0
  O  O22  1  0.001  0.330  0.744  1.0
  O  O23  1  0.332  0.047  0.149  1.0
  O  O24  1  0.334  0.045  0.549  1.0
  O  O25  1  0.014  0.390  0.943  1.0
  O  O26  1  0.016  0.391  0.352  1.0
  O  O27  1  0.289  0.333  0.454  1.0
  O  O28  1  0.290  0.334  0.846  1.0
  O  O29  1  0.619  0.014  0.650  1.0
  O  O30  1  0.627  0.014  0.044  1.0
  O  O31  1  0.341  0.333  0.255  1.0
  O  O32  1  0.667  0.007  0.255  1.0
  O  O33  1  0.044  0.710  0.846  1.0
  O  O34  1  0.387  0.373  0.044  1.0
  O  O35  1  0.044  0.711  0.454  1.0
  O  O36  1  0.395  0.381  0.650  1.0
  O  O37  1  0.609  0.625  0.352  1.0
  O  O38  1  0.610  0.623  0.943  1.0
  O  O39  1  0.955  0.288  0.549  1.0
  O  O40  1  0.953  0.285  0.149  1.0
  O  O41  1  0.329  0.999  0.744  1.0
  O  O42  1  0.377  0.986  0.943  1.0
  O  O43  1  0.670  0.671  0.744  1.0
  O  O44  1  0.712  0.666  0.549  1.0
  O  O45  1  0.375  0.984  0.352  1.0
  O  O46  1  0.715  0.668  0.149  1.0
  O  O47  1  0.986  0.605  0.650  1.0
  O  O48  1  0.666  0.956  0.846  1.0
  O  O49  1  0.986  0.613  0.044  1.0
  O  O50  1  0.667  0.956  0.454  1.0
  O  O51  1  0.993  0.659  0.255  1.0
[/CIF]
.