The structure described by Li5TiV3O8 crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(8), and two equivalent O(2) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(5)O5 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fourth Li site, Li(4) is bonded in a square co-planar geometry to one O(2), one O(4), one O(6), and one O(7) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-10°. Ti(1) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, edges with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O5 square pyramids, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid,  an edgeedge with one Li(2)O5 square pyramid, edges with two equivalent Li(3)O5 square pyramids, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-9°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, edges with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(3)O5 square pyramids, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(5), one V(2), and two equivalent V(1) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra, corners with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(2)Li3TiV2 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(4)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), one Ti(1), one V(1), and one V(3) atom to form OLi3TiV2 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(4)Li4TiV octahedra, corners with two equivalent O(2)Li3TiV2 octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(4)Li4TiV octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(1)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Ti(1), one V(2), and one V(3) atom to form OLi2Ti2V2 octahedra that share  a cornercorner with one O(2)Li3TiV2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra, corners with two equivalent O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(2)Li3TiV2 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(4)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), two equivalent Li(2), one Ti(1), and one V(1) atom to form OLi4TiV octahedra that share  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(2)Li3TiV2 octahedra,  a cornercorner with one O(7)Li4V2 octahedra, corners with two equivalent O(4)Li4TiV octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(6)Li3V3 octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(1)Li3V3 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Ti(1), one V(1), and two equivalent V(2) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(4)Li4TiV octahedra, corners with two equivalent O(5)Li2TiV3 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(4)Li4TiV octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(5), one V(1), one V(2), and one V(3) atom to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(2)Li3TiV2 octahedra,  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra, corners with two equivalent O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(4)Li4TiV octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(1)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), two equivalent Li(3), one V(2), and one V(3) atom to form OLi4V2 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(4)Li4TiV octahedra, corners with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(4)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Ti(1), and two equivalent V(3) atoms to form OLi3TiV2 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(2)Li3TiV2 octahedra, corners with two equivalent O(8)Li3TiV2 octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(4)Li4TiV octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(2)Li3TiV2 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.591
_cell_length_b   6.591
_cell_length_c   6.749
_cell_angle_alpha   72.858
_cell_angle_beta   72.858
_cell_angle_gamma   37.154
_symmetry_Int_Tables_number   1
_cell_volume   168.311
_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  0.938  0.938  0.366  1.0
  Li  Li1  1  0.809  0.809  0.994  1.0
  Li  Li2  1  0.173  0.173  0.998  1.0
  Li  Li3  1  0.498  0.498  0.990  1.0
  Li  Li4  1  0.053  0.053  0.631  1.0
  Ti  Ti5  1  0.279  0.279  0.311  1.0
  V  V6  1  0.383  0.383  0.679  1.0
  V  V7  1  0.713  0.713  0.673  1.0
  V  V8  1  0.604  0.604  0.318  1.0
  O  O9  1  0.883  0.883  0.680  1.0
  O  O10  1  0.431  0.431  0.341  1.0
  O  O11  1  0.777  0.777  0.325  1.0
  O  O12  1  0.335  0.335  0.014  1.0
  O  O13  1  0.222  0.222  0.647  1.0
  O  O14  1  0.546  0.546  0.660  1.0
  O  O15  1  0.650  0.650  0.993  1.0
  O  O16  1  0.118  0.118  0.319  1.0
[/CIF]
.
The structure described by Li5TiV3O8 crystallizes in the monoclinic Cm space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(8), and two equivalent O(2) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(5)O5 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(4) atoms to form LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fourth Li site, Li(4) is bonded in a square co-planar geometry to one O(2), one O(4), one O(6), and one O(7) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(8), and two equivalent O(6) atoms to form LiO5 square pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-10°. Ti(1) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Li(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-10°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, edges with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(2)O5 square pyramids, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid,  an edgeedge with one Li(2)O5 square pyramid, edges with two equivalent Li(3)O5 square pyramids, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-9°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, edges with two equivalent Li(1)O5 square pyramids, edges with two equivalent Li(3)O5 square pyramids, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(5), one V(2), and two equivalent V(1) atoms to form OLi3V3 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra, corners with two equivalent O(1)Li3V3 octahedra,  an edgeedge with one O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(2)Li3TiV2 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(4)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Li(4), two equivalent Li(1), one Ti(1), one V(1), and one V(3) atom to form OLi3TiV2 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(4)Li4TiV octahedra, corners with two equivalent O(2)Li3TiV2 octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(4)Li4TiV octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(1)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Ti(1), one V(2), and one V(3) atom to form OLi2Ti2V2 octahedra that share  a cornercorner with one O(2)Li3TiV2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra, corners with two equivalent O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(2)Li3TiV2 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(4)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), two equivalent Li(2), one Ti(1), and one V(1) atom to form OLi4TiV octahedra that share  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(2)Li3TiV2 octahedra,  a cornercorner with one O(7)Li4V2 octahedra, corners with two equivalent O(4)Li4TiV octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(6)Li3V3 octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(1)Li3V3 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Ti(1), one V(1), and two equivalent V(2) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(4)Li4TiV octahedra, corners with two equivalent O(5)Li2TiV3 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(4)Li4TiV octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(1)Li3V3 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(5), one V(1), one V(2), and one V(3) atom to form OLi3V3 octahedra that share  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(2)Li3TiV2 octahedra,  a cornercorner with one O(1)Li3V3 octahedra,  a cornercorner with one O(7)Li4V2 octahedra, corners with two equivalent O(6)Li3V3 octahedra,  an edgeedge with one O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(4)Li4TiV octahedra,  an edgeedge with one O(7)Li4V2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(1)Li3V3 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), two equivalent Li(3), one V(2), and one V(3) atom to form OLi4V2 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(6)Li3V3 octahedra,  a cornercorner with one O(4)Li4TiV octahedra, corners with two equivalent O(7)Li4V2 octahedra,  an edgeedge with one O(3)Li2Ti2V2 octahedra,  an edgeedge with one O(2)Li3TiV2 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(6)Li3V3 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, and edges with two equivalent O(4)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Ti(1), and two equivalent V(3) atoms to form OLi3TiV2 octahedra that share  a cornercorner with one O(3)Li2Ti2V2 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(2)Li3TiV2 octahedra, corners with two equivalent O(8)Li3TiV2 octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(1)Li3V3 octahedra,  an edgeedge with one O(4)Li4TiV octahedra, edges with two equivalent O(3)Li2Ti2V2 octahedra, edges with two equivalent O(2)Li3TiV2 octahedra, edges with two equivalent O(6)Li3V3 octahedra, and edges with two equivalent O(7)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.591
_cell_length_b   6.591
_cell_length_c   6.749
_cell_angle_alpha   72.858
_cell_angle_beta   72.858
_cell_angle_gamma   37.154
_symmetry_Int_Tables_number   1
_cell_volume   168.311
_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  0.938  0.938  0.366  1.0
  Li  Li1  1  0.809  0.809  0.994  1.0
  Li  Li2  1  0.173  0.173  0.998  1.0
  Li  Li3  1  0.498  0.498  0.990  1.0
  Li  Li4  1  0.053  0.053  0.631  1.0
  Ti  Ti5  1  0.279  0.279  0.311  1.0
  V  V6  1  0.383  0.383  0.679  1.0
  V  V7  1  0.713  0.713  0.673  1.0
  V  V8  1  0.604  0.604  0.318  1.0
  O  O9  1  0.883  0.883  0.680  1.0
  O  O10  1  0.431  0.431  0.341  1.0
  O  O11  1  0.777  0.777  0.325  1.0
  O  O12  1  0.335  0.335  0.014  1.0
  O  O13  1  0.222  0.222  0.647  1.0
  O  O14  1  0.546  0.546  0.660  1.0
  O  O15  1  0.650  0.650  0.993  1.0
  O  O16  1  0.118  0.118  0.319  1.0
[/CIF]
.