The structure described by Li2TiV3O8 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(14), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent V(6)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(13), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the third Li site, Li(3) is bonded to one O(16), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(5)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(5), and one O(7) atom to form TiO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(16), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the third V site, V(3) is bonded to one O(12), one O(13), one O(2), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fourth V site, V(4) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the fifth V site, V(5) is bonded to one O(10), one O(15), one O(2), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(14), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(1), one V(2), and one V(6) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid, corners with four equivalent O(4)Li2V3 square pyramids, edges with two equivalent O(5)Li2TiV2 square pyramids, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(3), one V(4), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(4)Li2V3 square pyramid, corners with four equivalent O(3)Li2V3 square pyramids, edges with two equivalent O(6)Li2TiV2 square pyramids, and edges with two equivalent O(7)Li2TiV2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with four equivalent O(2)Li2V3 square pyramids, edges with two equivalent O(6)Li2TiV2 square pyramids, and edges with two equivalent O(7)Li2TiV2 square pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one V(2), one V(4), and one V(6) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(2)Li2V3 square pyramid, corners with four equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(5)Li2TiV2 square pyramids, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Ti(2), one V(2), and one V(6) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(7)Li2TiV2 square pyramid, corners with four equivalent O(8)Li2TiV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(4)Li2V3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ti(1), one V(3), and one V(5) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(8)Li2TiV2 square pyramid, corners with four equivalent O(7)Li2TiV2 square pyramids, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(3)Li2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(2), one V(3), and one V(5) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(5)Li2TiV2 square pyramid, corners with four equivalent O(6)Li2TiV2 square pyramids, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(3)Li2V3 square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ti(1), one V(2), and one V(6) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(6)Li2TiV2 square pyramid, corners with four equivalent O(5)Li2TiV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(4)Li2V3 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(2), and one V(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), one V(1), and one V(5) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(4), and one V(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one V(4), and one V(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   5.973
_cell_length_c   6.028
_cell_angle_alpha   119.282
_cell_angle_beta   90.704
_cell_angle_gamma   119.227
_symmetry_Int_Tables_number   1
_cell_volume   153.519
_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  0.501  0.501  0.501  1.0
  Li  Li1  1  1.000  0.500  0.500  1.0
  O  O2  1  0.731  0.464  0.217  1.0
  O  O3  1  0.269  0.539  0.785  1.0
  O  O4  1  0.231  0.458  0.216  1.0
  O  O5  1  0.767  0.541  0.785  1.0
  O  O6  1  0.738  0.987  0.205  1.0
  O  O7  1  0.239  0.977  0.204  1.0
  O  O8  1  0.761  0.019  0.792  1.0
  O  O9  1  0.264  0.016  0.795  1.0
  Ti  Ti10  1  1.000  0.999  0.002  1.0
  V  V11  1  0.500  0.001  0.998  1.0
  V  V12  1  0.500  0.501  0.001  1.0
  V  V13  1  0.998  0.497  0.999  1.0
[/CIF]
.
The structure described by Li2TiV3O8 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(14), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent V(6)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(13), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the third Li site, Li(3) is bonded to one O(16), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(5)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(15), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(5), and one O(7) atom to form TiO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(16), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the third V site, V(3) is bonded to one O(12), one O(13), one O(2), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fourth V site, V(4) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. In the fifth V site, V(5) is bonded to one O(10), one O(15), one O(2), one O(3), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(14), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(1), one V(2), and one V(6) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid, corners with four equivalent O(4)Li2V3 square pyramids, edges with two equivalent O(5)Li2TiV2 square pyramids, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(3), one V(4), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(4)Li2V3 square pyramid, corners with four equivalent O(3)Li2V3 square pyramids, edges with two equivalent O(6)Li2TiV2 square pyramids, and edges with two equivalent O(7)Li2TiV2 square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with four equivalent O(2)Li2V3 square pyramids, edges with two equivalent O(6)Li2TiV2 square pyramids, and edges with two equivalent O(7)Li2TiV2 square pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one V(2), one V(4), and one V(6) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(2)Li2V3 square pyramid, corners with four equivalent O(1)Li2V3 square pyramids, edges with two equivalent O(5)Li2TiV2 square pyramids, and edges with two equivalent O(8)Li2TiV2 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Ti(2), one V(2), and one V(6) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(7)Li2TiV2 square pyramid, corners with four equivalent O(8)Li2TiV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(4)Li2V3 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Ti(1), one V(3), and one V(5) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(8)Li2TiV2 square pyramid, corners with four equivalent O(7)Li2TiV2 square pyramids, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(3)Li2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(2), one V(3), and one V(5) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(5)Li2TiV2 square pyramid, corners with four equivalent O(6)Li2TiV2 square pyramids, edges with two equivalent O(2)Li2V3 square pyramids, and edges with two equivalent O(3)Li2V3 square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ti(1), one V(2), and one V(6) atom to form OLi2TiV2 square pyramids that share  a cornercorner with one O(6)Li2TiV2 square pyramid, corners with four equivalent O(5)Li2TiV2 square pyramids, edges with two equivalent O(1)Li2V3 square pyramids, and edges with two equivalent O(4)Li2V3 square pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(2), and one V(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), one V(1), and one V(5) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(4), and one V(6) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(6) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one V(4), and one V(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.934
_cell_length_b   5.973
_cell_length_c   6.028
_cell_angle_alpha   119.282
_cell_angle_beta   90.704
_cell_angle_gamma   119.227
_symmetry_Int_Tables_number   1
_cell_volume   153.519
_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  0.501  0.501  0.501  1.0
  Li  Li1  1  1.000  0.500  0.500  1.0
  O  O2  1  0.731  0.464  0.217  1.0
  O  O3  1  0.269  0.539  0.785  1.0
  O  O4  1  0.231  0.458  0.216  1.0
  O  O5  1  0.767  0.541  0.785  1.0
  O  O6  1  0.738  0.987  0.205  1.0
  O  O7  1  0.239  0.977  0.204  1.0
  O  O8  1  0.761  0.019  0.792  1.0
  O  O9  1  0.264  0.016  0.795  1.0
  Ti  Ti10  1  1.000  0.999  0.002  1.0
  V  V11  1  0.500  0.001  0.998  1.0
  V  V12  1  0.500  0.501  0.001  1.0
  V  V13  1  0.998  0.497  0.999  1.0
[/CIF]
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