The material described by Li4Ti2Nb3V3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one V(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), and two equivalent V(1) atoms to form distorted corner-sharing OLiTiV2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent V(1) atoms to form corner-sharing OLiNbV2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one V(2) atom to form corner-sharing OLiNb2V tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one V(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent V(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Nb(2), and one V(2) atom to form distorted OLiTiNbV tetrahedra that share  a cornercorner with one O(9)LiTiNbV tetrahedra, corners with two equivalent O(5)LiNb2V tetrahedra, and  an edgeedge with one O(9)LiTiNbV tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one V(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one V(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2Nb3V3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   9.828
_cell_angle_alpha   89.627
_cell_angle_beta   89.627
_cell_angle_gamma   59.205
_symmetry_Int_Tables_number   1
_cell_volume   309.800
_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  0.668  0.668  0.901  1.0
  Li  Li1  1  0.004  0.004  0.991  1.0
  Li  Li2  1  0.008  0.008  0.492  1.0
  Li  Li3  1  0.335  0.335  0.388  1.0
  Ti  Ti4  1  0.658  0.658  0.495  1.0
  Ti  Ti5  1  0.327  0.327  0.000  1.0
  Nb  Nb6  1  0.827  0.827  0.223  1.0
  Nb  Nb7  1  0.635  0.182  0.716  1.0
  Nb  Nb8  1  0.182  0.635  0.716  1.0
  V  V9  1  0.819  0.350  0.212  1.0
  V  V10  1  0.350  0.819  0.212  1.0
  V  V11  1  0.172  0.172  0.712  1.0
  O  O12  1  0.821  0.340  0.595  1.0
  O  O13  1  0.525  0.525  0.351  1.0
  O  O14  1  0.677  0.677  0.098  1.0
  O  O15  1  0.999  0.999  0.306  1.0
  O  O16  1  0.001  0.001  0.806  1.0
  O  O17  1  0.340  0.821  0.595  1.0
  O  O18  1  0.965  0.523  0.343  1.0
  O  O19  1  0.523  0.965  0.343  1.0
  O  O20  1  0.169  0.169  0.093  1.0
  O  O21  1  0.830  0.830  0.593  1.0
  O  O22  1  0.489  0.041  0.847  1.0
  O  O23  1  0.041  0.489  0.847  1.0
  O  O24  1  0.328  0.328  0.581  1.0
  O  O25  1  0.657  0.162  0.097  1.0
  O  O26  1  0.487  0.487  0.857  1.0
  O  O27  1  0.162  0.657  0.097  1.0
[/CIF]
.
The material described by Li4Ti2Nb3V3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Ti site, Ti(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form VO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one V(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), and two equivalent V(1) atoms to form distorted corner-sharing OLiTiV2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent V(1) atoms to form corner-sharing OLiNbV2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one V(2) atom to form corner-sharing OLiNb2V tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one V(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), and two equivalent V(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Nb(2), and one V(2) atom to form distorted OLiTiNbV tetrahedra that share  a cornercorner with one O(9)LiTiNbV tetrahedra, corners with two equivalent O(5)LiNb2V tetrahedra, and  an edgeedge with one O(9)LiTiNbV tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one V(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one V(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti2Nb3V3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   9.828
_cell_angle_alpha   89.627
_cell_angle_beta   89.627
_cell_angle_gamma   59.205
_symmetry_Int_Tables_number   1
_cell_volume   309.800
_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  0.668  0.668  0.901  1.0
  Li  Li1  1  0.004  0.004  0.991  1.0
  Li  Li2  1  0.008  0.008  0.492  1.0
  Li  Li3  1  0.335  0.335  0.388  1.0
  Ti  Ti4  1  0.658  0.658  0.495  1.0
  Ti  Ti5  1  0.327  0.327  0.000  1.0
  Nb  Nb6  1  0.827  0.827  0.223  1.0
  Nb  Nb7  1  0.635  0.182  0.716  1.0
  Nb  Nb8  1  0.182  0.635  0.716  1.0
  V  V9  1  0.819  0.350  0.212  1.0
  V  V10  1  0.350  0.819  0.212  1.0
  V  V11  1  0.172  0.172  0.712  1.0
  O  O12  1  0.821  0.340  0.595  1.0
  O  O13  1  0.525  0.525  0.351  1.0
  O  O14  1  0.677  0.677  0.098  1.0
  O  O15  1  0.999  0.999  0.306  1.0
  O  O16  1  0.001  0.001  0.806  1.0
  O  O17  1  0.340  0.821  0.595  1.0
  O  O18  1  0.965  0.523  0.343  1.0
  O  O19  1  0.523  0.965  0.343  1.0
  O  O20  1  0.169  0.169  0.093  1.0
  O  O21  1  0.830  0.830  0.593  1.0
  O  O22  1  0.489  0.041  0.847  1.0
  O  O23  1  0.041  0.489  0.847  1.0
  O  O24  1  0.328  0.328  0.581  1.0
  O  O25  1  0.657  0.162  0.097  1.0
  O  O26  1  0.487  0.487  0.857  1.0
  O  O27  1  0.162  0.657  0.097  1.0
[/CIF]
.