The material described by Li4V3O8 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(13), one O(16), and one O(2) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(11), one O(14), and one O(15) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(10), one O(4), one O(6), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(8), and one O(9) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the second V site, V(2) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), 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 V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. In the third V site, V(3) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to one O(10), one O(14), one O(16), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(15), one O(4), and one O(6) 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 V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. 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(6), one V(1), one V(5), and one V(6) atom. In the second O site, O(2) is bonded to one Li(5), one V(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(8), one V(1), one V(2), and one V(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(7), one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(8), one V(2), and one V(6) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid, corners with two equivalent O(11)Li3V2 square pyramids, corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and edges with two equivalent O(9)Li3V2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(7), one V(3), and one V(5) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(14)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid, corners with two equivalent O(11)Li3V2 square pyramids, corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(14)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and edges with two equivalent O(10)Li3V2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(7), one V(1), and one V(6) atom to form a mixture of corner and edge-sharing OLi3V2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(8), one V(3), and one V(4) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid, corners with three equivalent O(14)Li3V2 square pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid,  an edgeedge with one O(10)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(9)Li3V2 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(8), one V(1), and one V(2) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(11)Li3V2 square pyramid,  a cornercorner with one O(13)Li3V2 square pyramid, corners with two equivalent O(15)Li3V2 square pyramids, corners with two equivalent O(16)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and edges with two equivalent O(5)Li3V2 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(7), one V(4), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(14)Li3V2 square pyramid, corners with two equivalent O(15)Li3V2 square pyramids, corners with two equivalent O(16)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(11)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 square pyramid, edges with two equivalent O(6)Li3V2 square pyramids,  an edgeedge with one O(7)Li3V2 trigonal bipyramid, and  an edgeedge with one O(8)Li3V2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLi3V2 square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(5), one V(2), and one V(3) atom to form distorted OLi3V2 square pyramids that share corners with two equivalent O(6)Li3V2 square pyramids,  a cornercorner with one O(10)Li3V2 trigonal bipyramid,  a cornercorner with one O(8)Li3V2 trigonal bipyramid, corners with two equivalent O(5)Li3V2 trigonal bipyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 square pyramid, edges with two equivalent O(16)Li3V2 square pyramids,  an edgeedge with one O(8)Li3V2 trigonal bipyramid,  an edgeedge with one O(9)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(5), one V(1), and one V(6) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(5)Li3V2 trigonal bipyramid,  a cornercorner with one O(8)Li3V2 trigonal bipyramid,  a cornercorner with one O(9)Li3V2 trigonal bipyramid, corners with three equivalent O(7)Li3V2 trigonal bipyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(11)Li3V2 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(9)Li3V2 trigonal bipyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Li(6), one V(3), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(6)Li3V2 square pyramid,  a cornercorner with one O(10)Li3V2 trigonal bipyramid,  a cornercorner with one O(7)Li3V2 trigonal bipyramid, corners with three equivalent O(8)Li3V2 trigonal bipyramids,  an edgeedge with one O(11)Li3V2 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid,  an edgeedge with one O(10)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Li(6), one V(1), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLi3V2 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Li(5), one V(2), and one V(4) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(6)Li3V2 square pyramid,  a cornercorner with one O(8)Li3V2 trigonal bipyramid, corners with two equivalent O(10)Li3V2 trigonal bipyramids, corners with two equivalent O(9)Li3V2 trigonal bipyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 square pyramid, edges with two equivalent O(12)Li3V2 square pyramids,  an edgeedge with one O(5)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   10.132
_cell_length_c   6.158
_cell_angle_alpha   106.058
_cell_angle_beta   61.524
_cell_angle_gamma   90.111
_symmetry_Int_Tables_number   1
_cell_volume   304.822
_cell_formula_units_Z   2
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  0.496  0.498  0.998  1.0
  Li  Li1  1  0.006  0.998  0.998  1.0
  Li  Li2  1  0.255  0.251  0.501  1.0
  Li  Li3  1  0.745  0.751  0.501  1.0
  Li  Li4  1  0.469  0.180  0.075  1.0
  Li  Li5  1  0.958  0.681  0.074  1.0
  Li  Li6  1  0.529  0.821  0.928  1.0
  Li  Li7  1  0.042  0.321  0.929  1.0
  V  V8  1  0.491  0.499  0.508  1.0
  V  V9  1  0.745  0.248  0.500  1.0
  V  V10  1  0.499  0.998  0.508  1.0
  V  V11  1  0.007  0.001  0.494  1.0
  V  V12  1  0.256  0.749  0.500  1.0
  V  V13  1  0.998  0.501  0.494  1.0
  O  O14  1  0.138  0.618  0.709  1.0
  O  O15  1  0.652  0.118  0.709  1.0
  O  O16  1  0.847  0.382  0.296  1.0
  O  O17  1  0.359  0.882  0.293  1.0
  O  O18  1  0.888  0.372  0.695  1.0
  O  O19  1  0.380  0.872  0.716  1.0
  O  O20  1  0.632  0.610  0.705  1.0
  O  O21  1  0.163  0.110  0.706  1.0
  O  O22  1  0.405  0.372  0.713  1.0
  O  O23  1  0.917  0.872  0.695  1.0
  O  O24  1  0.103  0.621  0.293  1.0
  O  O25  1  0.630  0.134  0.291  1.0
  O  O26  1  0.363  0.392  0.293  1.0
  O  O27  1  0.843  0.891  0.294  1.0
  O  O28  1  0.580  0.635  0.291  1.0
  O  O29  1  0.104  0.121  0.294  1.0
[/CIF]
.
The material described by Li4V3O8 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the third Li site, Li(3) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fifth Li site, Li(5) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(13), one O(16), and one O(2) atom. In the sixth Li site, Li(6) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(11), one O(14), and one O(15) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(10), one O(4), one O(6), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(8), and one O(9) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the second V site, V(2) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), 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 V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. In the third V site, V(3) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to one O(10), one O(14), one O(16), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(15), one O(4), and one O(6) 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 V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  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(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. 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(6), one V(1), one V(5), and one V(6) atom. In the second O site, O(2) is bonded to one Li(5), one V(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(8), one V(1), one V(2), and one V(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(7), one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(8), one V(2), and one V(6) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(15)Li3V2 square pyramid, corners with two equivalent O(11)Li3V2 square pyramids, corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and edges with two equivalent O(9)Li3V2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Li(7), one V(3), and one V(5) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(14)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid, corners with two equivalent O(11)Li3V2 square pyramids, corners with two equivalent O(12)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(14)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and edges with two equivalent O(10)Li3V2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(7), one V(1), and one V(6) atom to form a mixture of corner and edge-sharing OLi3V2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(8), one V(3), and one V(4) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(16)Li3V2 square pyramid, corners with three equivalent O(14)Li3V2 square pyramids, corners with two equivalent O(2)LiV3 trigonal pyramids,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid,  an edgeedge with one O(10)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(9)Li3V2 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(8), one V(1), and one V(2) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(11)Li3V2 square pyramid,  a cornercorner with one O(13)Li3V2 square pyramid, corners with two equivalent O(15)Li3V2 square pyramids, corners with two equivalent O(16)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and edges with two equivalent O(5)Li3V2 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(7), one V(4), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(12)Li3V2 square pyramid,  a cornercorner with one O(14)Li3V2 square pyramid, corners with two equivalent O(15)Li3V2 square pyramids, corners with two equivalent O(16)Li3V2 square pyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(11)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 square pyramid, edges with two equivalent O(6)Li3V2 square pyramids,  an edgeedge with one O(7)Li3V2 trigonal bipyramid, and  an edgeedge with one O(8)Li3V2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one V(5), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLi3V2 square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Li(5), one V(2), and one V(3) atom to form distorted OLi3V2 square pyramids that share corners with two equivalent O(6)Li3V2 square pyramids,  a cornercorner with one O(10)Li3V2 trigonal bipyramid,  a cornercorner with one O(8)Li3V2 trigonal bipyramid, corners with two equivalent O(5)Li3V2 trigonal bipyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 square pyramid, edges with two equivalent O(16)Li3V2 square pyramids,  an edgeedge with one O(8)Li3V2 trigonal bipyramid,  an edgeedge with one O(9)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(5), one V(1), and one V(6) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(5)Li3V2 trigonal bipyramid,  a cornercorner with one O(8)Li3V2 trigonal bipyramid,  a cornercorner with one O(9)Li3V2 trigonal bipyramid, corners with three equivalent O(7)Li3V2 trigonal bipyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(11)Li3V2 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(9)Li3V2 trigonal bipyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Li(6), one V(3), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(6)Li3V2 square pyramid,  a cornercorner with one O(10)Li3V2 trigonal bipyramid,  a cornercorner with one O(7)Li3V2 trigonal bipyramid, corners with three equivalent O(8)Li3V2 trigonal bipyramids,  an edgeedge with one O(11)Li3V2 square pyramid,  an edgeedge with one O(12)Li3V2 square pyramid,  an edgeedge with one O(15)Li3V2 square pyramid,  an edgeedge with one O(16)Li3V2 square pyramid,  an edgeedge with one O(6)Li3V2 square pyramid,  an edgeedge with one O(10)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Li(6), one V(1), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLi3V2 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Li(5), one V(2), and one V(4) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(6)Li3V2 square pyramid,  a cornercorner with one O(8)Li3V2 trigonal bipyramid, corners with two equivalent O(10)Li3V2 trigonal bipyramids, corners with two equivalent O(9)Li3V2 trigonal bipyramids,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 square pyramid, edges with two equivalent O(12)Li3V2 square pyramids,  an edgeedge with one O(5)Li3V2 trigonal bipyramid,  an edgeedge with one O(8)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   10.132
_cell_length_c   6.158
_cell_angle_alpha   106.058
_cell_angle_beta   61.524
_cell_angle_gamma   90.111
_symmetry_Int_Tables_number   1
_cell_volume   304.822
_cell_formula_units_Z   2
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  0.496  0.498  0.998  1.0
  Li  Li1  1  0.006  0.998  0.998  1.0
  Li  Li2  1  0.255  0.251  0.501  1.0
  Li  Li3  1  0.745  0.751  0.501  1.0
  Li  Li4  1  0.469  0.180  0.075  1.0
  Li  Li5  1  0.958  0.681  0.074  1.0
  Li  Li6  1  0.529  0.821  0.928  1.0
  Li  Li7  1  0.042  0.321  0.929  1.0
  V  V8  1  0.491  0.499  0.508  1.0
  V  V9  1  0.745  0.248  0.500  1.0
  V  V10  1  0.499  0.998  0.508  1.0
  V  V11  1  0.007  0.001  0.494  1.0
  V  V12  1  0.256  0.749  0.500  1.0
  V  V13  1  0.998  0.501  0.494  1.0
  O  O14  1  0.138  0.618  0.709  1.0
  O  O15  1  0.652  0.118  0.709  1.0
  O  O16  1  0.847  0.382  0.296  1.0
  O  O17  1  0.359  0.882  0.293  1.0
  O  O18  1  0.888  0.372  0.695  1.0
  O  O19  1  0.380  0.872  0.716  1.0
  O  O20  1  0.632  0.610  0.705  1.0
  O  O21  1  0.163  0.110  0.706  1.0
  O  O22  1  0.405  0.372  0.713  1.0
  O  O23  1  0.917  0.872  0.695  1.0
  O  O24  1  0.103  0.621  0.293  1.0
  O  O25  1  0.630  0.134  0.291  1.0
  O  O26  1  0.363  0.392  0.293  1.0
  O  O27  1  0.843  0.891  0.294  1.0
  O  O28  1  0.580  0.635  0.291  1.0
  O  O29  1  0.104  0.121  0.294  1.0
[/CIF]
.