The material described by Li4Ti3VO8 is alpha Po-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(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ti(3) atom to form OLi3Ti3 octahedra that share corners with six equivalent O(8)Li3Ti3 octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, and edges with two equivalent O(7)Li3Ti2V octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Ti(2), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ti(2), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ti(3) atom to form OLi3Ti3 octahedra that share corners with six equivalent O(3)Li3Ti3 octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, and edges with two equivalent O(7)Li3Ti2V octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Li4Ti3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   8.451
_cell_length_c   10.242
_cell_angle_alpha   113.804
_cell_angle_beta   150.002
_cell_angle_gamma   45.609
_symmetry_Int_Tables_number   1
_cell_volume   150.729
_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  0.004  0.497  0.501  1.0
  Li  Li1  1  0.498  0.496  0.997  1.0
  Li  Li2  1  0.492  0.498  0.496  1.0
  Li  Li3  1  0.006  0.496  0.001  1.0
  Ti  Ti4  1  0.503  0.997  0.999  1.0
  Ti  Ti5  1  0.003  0.997  0.499  1.0
  Ti  Ti6  1  0.503  0.996  0.499  1.0
  V  V7  1  0.003  0.997  0.999  1.0
  O  O8  1  0.954  0.762  0.983  1.0
  O  O9  1  0.534  0.231  0.015  1.0
  O  O10  1  0.534  0.231  0.509  1.0
  O  O11  1  0.990  0.762  0.501  1.0
  O  O12  1  0.018  0.231  0.498  1.0
  O  O13  1  0.471  0.762  0.983  1.0
  O  O14  1  0.051  0.231  0.015  1.0
  O  O15  1  0.472  0.762  0.489  1.0
[/CIF]
.
The material described by Li4Ti3VO8 is alpha Po-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(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ti(3) atom to form OLi3Ti3 octahedra that share corners with six equivalent O(8)Li3Ti3 octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, and edges with two equivalent O(7)Li3Ti2V octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Ti(2), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ti(2), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Ti(3), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(7)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one V(1) atom to form OLi3Ti2V octahedra that share corners with six equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, edges with two equivalent O(3)Li3Ti3 octahedra, and edges with two equivalent O(8)Li3Ti3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ti(3) atom to form OLi3Ti3 octahedra that share corners with six equivalent O(3)Li3Ti3 octahedra, edges with two equivalent O(1)Li3Ti2V octahedra, edges with two equivalent O(2)Li3Ti2V octahedra, edges with two equivalent O(4)Li3Ti2V octahedra, edges with two equivalent O(5)Li3Ti2V octahedra, edges with two equivalent O(6)Li3Ti2V octahedra, and edges with two equivalent O(7)Li3Ti2V octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_Li4Ti3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   8.451
_cell_length_c   10.242
_cell_angle_alpha   113.804
_cell_angle_beta   150.002
_cell_angle_gamma   45.609
_symmetry_Int_Tables_number   1
_cell_volume   150.729
_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  0.004  0.497  0.501  1.0
  Li  Li1  1  0.498  0.496  0.997  1.0
  Li  Li2  1  0.492  0.498  0.496  1.0
  Li  Li3  1  0.006  0.496  0.001  1.0
  Ti  Ti4  1  0.503  0.997  0.999  1.0
  Ti  Ti5  1  0.003  0.997  0.499  1.0
  Ti  Ti6  1  0.503  0.996  0.499  1.0
  V  V7  1  0.003  0.997  0.999  1.0
  O  O8  1  0.954  0.762  0.983  1.0
  O  O9  1  0.534  0.231  0.015  1.0
  O  O10  1  0.534  0.231  0.509  1.0
  O  O11  1  0.990  0.762  0.501  1.0
  O  O12  1  0.018  0.231  0.498  1.0
  O  O13  1  0.471  0.762  0.983  1.0
  O  O14  1  0.051  0.231  0.015  1.0
  O  O15  1  0.472  0.762  0.489  1.0
[/CIF]
.