The crystal structure described by Li4Ti3V5O16 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent V(3)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 V(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ti site, Ti(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent V(3)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 V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(3)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 V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third V site, V(3) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-52°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-54°. There are sixteen 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(3), one V(1), and one V(5) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Ti(2), and one V(1) atom to form distorted OLiTi2V tetrahedra that share  a cornercorner with one O(7)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiTiV2 tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(7)LiTiV2 tetrahedra, and  an edgeedge with one O(8)LiTiV2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one V(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), one Ti(2), and one V(2) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(2)LiTi2V tetrahedra, corners with two equivalent O(7)LiTiV2 tetrahedra, corners with two equivalent O(8)LiTiV2 tetrahedra, and  a cornercorner with one O(10)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), one V(4), and one V(5) atom to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(11)LiTiV2 tetrahedra, corners with two equivalent O(15)LiV3 tetrahedra, corners with two equivalent O(12)LiTiV2 trigonal pyramids, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one V(1), and one V(2) atom to form distorted OLiTiV2 tetrahedra that share  a cornercorner with one O(2)LiTi2V tetrahedra,  a cornercorner with one O(8)LiTiV2 tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(2)LiTi2V tetrahedra, and  an edgeedge with one O(8)LiTiV2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ti(2), one V(1), and one V(2) atom to form distorted OLiTiV2 tetrahedra that share  a cornercorner with one O(2)LiTi2V tetrahedra,  a cornercorner with one O(7)LiTiV2 tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(2)LiTi2V tetrahedra, and  an edgeedge with one O(7)LiTiV2 tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one V(3) atom. In the tenth O site, O(10) is bonded to one Li(3), one V(1), one V(4), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(2)LiTi2V tetrahedra,  a cornercorner with one O(4)LiTi2V tetrahedra,  a cornercorner with one O(11)LiTiV2 tetrahedra,  a cornercorner with one O(7)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiTiV2 tetrahedra, corners with two equivalent O(15)LiV3 tetrahedra,  a cornercorner with one O(12)LiTiV2 trigonal pyramid, and  an edgeedge with one O(5)LiTiV2 tetrahedra. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(3), one V(3), and one V(5) atom to form distorted OLiTiV2 tetrahedra that share  a cornercorner with one O(15)LiV3 tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(12)LiTiV2 trigonal pyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(15)LiV3 tetrahedra, and  an edgeedge with one O(12)LiTiV2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(3), one V(3), and one V(4) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(11)LiTiV2 tetrahedra,  a cornercorner with one O(15)LiV3 tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(11)LiTiV2 tetrahedra, and  an edgeedge with one O(15)LiV3 tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one V(4), and one V(5) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(2), and one V(3) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(3), one V(4), and one V(5) atom to form distorted OLiV3 tetrahedra that share  a cornercorner with one O(11)LiTiV2 tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(12)LiTiV2 trigonal pyramid, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(11)LiTiV2 tetrahedra, and  an edgeedge with one O(12)LiTiV2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_Li4Ti3V5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.939
_cell_length_c   9.671
_cell_angle_alpha   90.555
_cell_angle_beta   90.559
_cell_angle_gamma   119.597
_symmetry_Int_Tables_number   1
_cell_volume   295.045
_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  0.332  0.662  0.105  1.0
  Li  Li1  1  0.004  0.007  0.005  1.0
  Li  Li2  1  0.997  0.997  0.503  1.0
  Li  Li3  1  0.667  0.332  0.606  1.0
  Ti  Ti4  1  0.162  0.823  0.784  1.0
  Ti  Ti5  1  0.661  0.828  0.784  1.0
  Ti  Ti6  1  0.830  0.658  0.278  1.0
  V  V7  1  0.329  0.664  0.512  1.0
  V  V8  1  0.171  0.342  0.790  1.0
  V  V9  1  0.665  0.327  0.013  1.0
  V  V10  1  0.817  0.159  0.290  1.0
  V  V11  1  0.341  0.166  0.291  1.0
  O  O12  1  0.165  0.836  0.398  1.0
  O  O13  1  0.479  0.960  0.662  1.0
  O  O14  1  0.348  0.693  0.898  1.0
  O  O15  1  0.994  0.991  0.688  1.0
  O  O16  1  0.989  0.990  0.190  1.0
  O  O17  1  0.672  0.837  0.394  1.0
  O  O18  1  0.036  0.526  0.664  1.0
  O  O19  1  0.485  0.525  0.661  1.0
  O  O20  1  0.840  0.680  0.895  1.0
  O  O21  1  0.155  0.324  0.397  1.0
  O  O22  1  0.520  0.477  0.161  1.0
  O  O23  1  0.960  0.479  0.162  1.0
  O  O24  1  0.687  0.352  0.400  1.0
  O  O25  1  0.329  0.166  0.899  1.0
  O  O26  1  0.529  0.032  0.166  1.0
  O  O27  1  0.838  0.167  0.898  1.0
[/CIF]
.
The crystal structure described by Li4Ti3V5O16 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent V(3)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 V(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ti site, Ti(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent V(3)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 V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second V site, V(2) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(3)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 V(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the third V site, V(3) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth V site, V(4) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-52°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-54°. There are sixteen 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(3), one V(1), and one V(5) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Ti(2), and one V(1) atom to form distorted OLiTi2V tetrahedra that share  a cornercorner with one O(7)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiTiV2 tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(7)LiTiV2 tetrahedra, and  an edgeedge with one O(8)LiTiV2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one V(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), one Ti(2), and one V(2) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(2)LiTi2V tetrahedra, corners with two equivalent O(7)LiTiV2 tetrahedra, corners with two equivalent O(8)LiTiV2 tetrahedra, and  a cornercorner with one O(10)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), one V(4), and one V(5) atom to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(11)LiTiV2 tetrahedra, corners with two equivalent O(15)LiV3 tetrahedra, corners with two equivalent O(12)LiTiV2 trigonal pyramids, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one V(1), and one V(2) atom to form distorted OLiTiV2 tetrahedra that share  a cornercorner with one O(2)LiTi2V tetrahedra,  a cornercorner with one O(8)LiTiV2 tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(2)LiTi2V tetrahedra, and  an edgeedge with one O(8)LiTiV2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ti(2), one V(1), and one V(2) atom to form distorted OLiTiV2 tetrahedra that share  a cornercorner with one O(2)LiTi2V tetrahedra,  a cornercorner with one O(7)LiTiV2 tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(2)LiTi2V tetrahedra, and  an edgeedge with one O(7)LiTiV2 tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one V(3) atom. In the tenth O site, O(10) is bonded to one Li(3), one V(1), one V(4), and one V(5) atom to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(2)LiTi2V tetrahedra,  a cornercorner with one O(4)LiTi2V tetrahedra,  a cornercorner with one O(11)LiTiV2 tetrahedra,  a cornercorner with one O(7)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiTiV2 tetrahedra, corners with two equivalent O(15)LiV3 tetrahedra,  a cornercorner with one O(12)LiTiV2 trigonal pyramid, and  an edgeedge with one O(5)LiTiV2 tetrahedra. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(3), one V(3), and one V(5) atom to form distorted OLiTiV2 tetrahedra that share  a cornercorner with one O(15)LiV3 tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(12)LiTiV2 trigonal pyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(15)LiV3 tetrahedra, and  an edgeedge with one O(12)LiTiV2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(3), one V(3), and one V(4) atom to form distorted OLiTiV2 trigonal pyramids that share  a cornercorner with one O(11)LiTiV2 tetrahedra,  a cornercorner with one O(15)LiV3 tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(11)LiTiV2 tetrahedra, and  an edgeedge with one O(15)LiV3 tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one V(4), and one V(5) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(2), and one V(3) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(3), one V(4), and one V(5) atom to form distorted OLiV3 tetrahedra that share  a cornercorner with one O(11)LiTiV2 tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(12)LiTiV2 trigonal pyramid, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(11)LiTiV2 tetrahedra, and  an edgeedge with one O(12)LiTiV2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_Li4Ti3V5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.939
_cell_length_c   9.671
_cell_angle_alpha   90.555
_cell_angle_beta   90.559
_cell_angle_gamma   119.597
_symmetry_Int_Tables_number   1
_cell_volume   295.045
_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  0.332  0.662  0.105  1.0
  Li  Li1  1  0.004  0.007  0.005  1.0
  Li  Li2  1  0.997  0.997  0.503  1.0
  Li  Li3  1  0.667  0.332  0.606  1.0
  Ti  Ti4  1  0.162  0.823  0.784  1.0
  Ti  Ti5  1  0.661  0.828  0.784  1.0
  Ti  Ti6  1  0.830  0.658  0.278  1.0
  V  V7  1  0.329  0.664  0.512  1.0
  V  V8  1  0.171  0.342  0.790  1.0
  V  V9  1  0.665  0.327  0.013  1.0
  V  V10  1  0.817  0.159  0.290  1.0
  V  V11  1  0.341  0.166  0.291  1.0
  O  O12  1  0.165  0.836  0.398  1.0
  O  O13  1  0.479  0.960  0.662  1.0
  O  O14  1  0.348  0.693  0.898  1.0
  O  O15  1  0.994  0.991  0.688  1.0
  O  O16  1  0.989  0.990  0.190  1.0
  O  O17  1  0.672  0.837  0.394  1.0
  O  O18  1  0.036  0.526  0.664  1.0
  O  O19  1  0.485  0.525  0.661  1.0
  O  O20  1  0.840  0.680  0.895  1.0
  O  O21  1  0.155  0.324  0.397  1.0
  O  O22  1  0.520  0.477  0.161  1.0
  O  O23  1  0.960  0.479  0.162  1.0
  O  O24  1  0.687  0.352  0.400  1.0
  O  O25  1  0.329  0.166  0.899  1.0
  O  O26  1  0.529  0.032  0.166  1.0
  O  O27  1  0.838  0.167  0.898  1.0
[/CIF]
.