The material structure 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(12), one O(13), one O(15), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)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. The corner-sharing octahedral tilt angles range from 10-15°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(14), one O(16), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent 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. The corner-sharing octahedral tilt angles range from 11-15°. In the third Li site, Li(3) 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 LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)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. The corner-sharing octahedral tilt angles range from 10-15°. In the fourth Li site, Li(4) 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 LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)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. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(15), and one O(2) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(14), and one O(16) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(7), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(6), and one O(8) atom. There are six inequivalent V sites. In the first V site, V(1) 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 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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. In the second V site, V(2) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) 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 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) 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 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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(12), one O(15), one O(4), and one O(5) 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth V site, V(6) 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 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(6), one V(3), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(5), one V(1), one V(2), and one V(6) 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(2), one V(4), 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(1), one V(3), and one V(5) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(7), one V(3), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(14)Li3V2 trigonal bipyramid,  a cornercorner with one O(16)Li3V2 trigonal bipyramid, corners with two equivalent O(11)Li3V2 trigonal bipyramids, corners with two equivalent O(12)Li3V2 trigonal bipyramids, corners with two equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 square pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(9)Li3V2 square pyramid, and  an edgeedge with one O(15)Li3V2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), 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 trigonal bipyramid, corners with two equivalent O(11)Li3V2 trigonal bipyramids, corners with two equivalent O(12)Li3V2 trigonal bipyramids, corners with two equivalent O(2)LiV3 trigonal pyramids,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 square pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(9)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid, and  an edgeedge with one O(16)Li3V2 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(7), one V(4), and one V(6) atom to form distorted OLi3V2 square pyramids that share corners with three equivalent O(13)Li3V2 square pyramids,  a cornercorner with one O(12)Li3V2 trigonal bipyramid,  a cornercorner with one O(14)Li3V2 trigonal bipyramid,  a cornercorner with one O(15)Li3V2 trigonal bipyramid,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, edges with two equivalent O(9)Li3V2 square pyramids,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(15)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(8), one V(1), and one V(3) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(11)Li3V2 trigonal bipyramid,  a cornercorner with one O(16)Li3V2 trigonal bipyramid, corners with three equivalent O(14)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, edges with two equivalent O(10)Li3V2 square pyramids,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(16)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(7), one V(2), and one V(4) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 trigonal bipyramid,  a cornercorner with one O(16)Li3V2 trigonal bipyramid, corners with three equivalent O(15)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid, edges with two equivalent O(7)Li3V2 square pyramids,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(8), one V(1), and one V(5) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(11)Li3V2 trigonal bipyramid,  a cornercorner with one O(14)Li3V2 trigonal bipyramid,  a cornercorner with one O(15)Li3V2 trigonal bipyramid, corners with three equivalent O(16)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, edges with two equivalent O(8)Li3V2 square pyramids,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(5), one V(2), and one V(6) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(8)Li3V2 square pyramid, corners with two equivalent O(5)Li3V2 trigonal bipyramids, corners with two equivalent O(6)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(7)Li3V2 square pyramid,  an edgeedge with one O(9)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid,  an edgeedge with one O(15)Li3V2 trigonal bipyramid,  an edgeedge with one O(16)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(7)Li3V2 square pyramid,  a cornercorner with one O(9)Li3V2 square pyramid, corners with two equivalent O(5)Li3V2 trigonal bipyramids, corners with two equivalent O(6)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid,  an edgeedge with one O(15)Li3V2 trigonal bipyramid,  an edgeedge with one O(16)Li3V2 trigonal bipyramid, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(5), one V(3), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(8)Li3V2 square pyramid,  a cornercorner with one O(9)Li3V2 square pyramid, corners with three equivalent O(7)Li3V2 square pyramids,  a cornercorner with one O(6)Li3V2 trigonal bipyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(9)Li3V2 square pyramid,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, edges with two equivalent O(15)Li3V2 trigonal bipyramids, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Li(6), one V(1), and one V(6) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(7)Li3V2 square pyramid, corners with three equivalent O(8)Li3V2 square pyramids,  a cornercorner with one O(5)Li3V2 trigonal bipyramid,  a cornercorner with one O(1)LiV3 trigonal pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(6)Li3V2 trigonal bipyramid, edges with two equivalent O(16)Li3V2 trigonal bipyramids, 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(3), one Li(5), one V(4), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(7)Li3V2 square pyramid, corners with three equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(6)Li3V2 trigonal bipyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(7)Li3V2 square pyramid, edges with two equivalent O(13)Li3V2 square pyramids,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(4), one Li(6), one V(1), and one V(2) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(8)Li3V2 square pyramid,  a cornercorner with one O(9)Li3V2 square pyramid, corners with three equivalent O(10)Li3V2 square pyramids,  a cornercorner with one O(5)Li3V2 trigonal bipyramid,  a cornercorner with one O(1)LiV3 trigonal pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(6)Li3V2 trigonal bipyramid, edges with two equivalent O(14)Li3V2 trigonal bipyramids, and  an edgeedge with one O(2)LiV3 trigonal pyramid. is represented by the CIF file [CIF]
data_Li4V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   6.151
_cell_length_c   8.497
_cell_angle_alpha   86.027
_cell_angle_beta   90.093
_cell_angle_gamma   89.928
_symmetry_Int_Tables_number   1
_cell_volume   305.135
_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  0.007  0.002  0.999  1.0
  Li  Li1  1  0.493  0.503  0.500  1.0
  Li  Li2  1  0.496  0.498  0.000  1.0
  Li  Li3  1  0.005  0.999  0.501  1.0
  Li  Li4  1  0.493  0.214  0.857  1.0
  Li  Li5  1  0.008  0.716  0.357  1.0
  Li  Li6  1  0.494  0.783  0.143  1.0
  Li  Li7  1  0.005  0.282  0.643  1.0
  V  V8  1  0.494  0.001  0.498  1.0
  V  V9  1  0.246  0.746  0.746  1.0
  V  V10  1  0.253  0.248  0.244  1.0
  V  V11  1  0.006  0.500  0.999  1.0
  V  V12  1  0.754  0.253  0.255  1.0
  V  V13  1  0.746  0.752  0.755  1.0
  O  O14  1  0.004  0.472  0.236  1.0
  O  O15  1  0.495  0.970  0.734  1.0
  O  O16  1  0.993  0.527  0.764  1.0
  O  O17  1  0.507  0.028  0.263  1.0
  O  O18  1  0.489  0.462  0.245  1.0
  O  O19  1  0.010  0.961  0.745  1.0
  O  O20  1  0.750  0.733  0.974  1.0
  O  O21  1  0.274  0.220  0.489  1.0
  O  O22  1  0.226  0.718  0.990  1.0
  O  O23  1  0.750  0.234  0.474  1.0
  O  O24  1  0.485  0.537  0.757  1.0
  O  O25  1  0.015  0.038  0.257  1.0
  O  O26  1  0.239  0.269  0.014  1.0
  O  O27  1  0.736  0.781  0.524  1.0
  O  O28  1  0.765  0.281  0.024  1.0
  O  O29  1  0.262  0.772  0.515  1.0
[/CIF]
.
The material structure 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(12), one O(13), one O(15), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)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. The corner-sharing octahedral tilt angles range from 10-15°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(14), one O(16), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent 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. The corner-sharing octahedral tilt angles range from 11-15°. In the third Li site, Li(3) 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 LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)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. The corner-sharing octahedral tilt angles range from 10-15°. In the fourth Li site, Li(4) 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 LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)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. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(15), and one O(2) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(14), and one O(16) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(7), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(6), and one O(8) atom. There are six inequivalent V sites. In the first V site, V(1) 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 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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. In the second V site, V(2) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) 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 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the fourth V site, V(4) 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 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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(12), one O(15), one O(4), and one O(5) 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the sixth V site, V(6) 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 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(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(6), one V(3), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(5), one V(1), one V(2), and one V(6) 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(2), one V(4), 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(1), one V(3), and one V(5) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(7), one V(3), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(14)Li3V2 trigonal bipyramid,  a cornercorner with one O(16)Li3V2 trigonal bipyramid, corners with two equivalent O(11)Li3V2 trigonal bipyramids, corners with two equivalent O(12)Li3V2 trigonal bipyramids, corners with two equivalent O(1)LiV3 trigonal pyramids,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 square pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(9)Li3V2 square pyramid, and  an edgeedge with one O(15)Li3V2 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), 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 trigonal bipyramid, corners with two equivalent O(11)Li3V2 trigonal bipyramids, corners with two equivalent O(12)Li3V2 trigonal bipyramids, corners with two equivalent O(2)LiV3 trigonal pyramids,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(7)Li3V2 square pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(9)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid, and  an edgeedge with one O(16)Li3V2 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(7), one V(4), and one V(6) atom to form distorted OLi3V2 square pyramids that share corners with three equivalent O(13)Li3V2 square pyramids,  a cornercorner with one O(12)Li3V2 trigonal bipyramid,  a cornercorner with one O(14)Li3V2 trigonal bipyramid,  a cornercorner with one O(15)Li3V2 trigonal bipyramid,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, edges with two equivalent O(9)Li3V2 square pyramids,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(15)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(8), one V(1), and one V(3) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(11)Li3V2 trigonal bipyramid,  a cornercorner with one O(16)Li3V2 trigonal bipyramid, corners with three equivalent O(14)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, edges with two equivalent O(10)Li3V2 square pyramids,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(16)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(7), one V(2), and one V(4) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(13)Li3V2 square pyramid,  a cornercorner with one O(12)Li3V2 trigonal bipyramid,  a cornercorner with one O(16)Li3V2 trigonal bipyramid, corners with three equivalent O(15)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(13)Li3V2 square pyramid, edges with two equivalent O(7)Li3V2 square pyramids,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(8), one V(1), and one V(5) atom to form distorted OLi3V2 square pyramids that share  a cornercorner with one O(11)Li3V2 trigonal bipyramid,  a cornercorner with one O(14)Li3V2 trigonal bipyramid,  a cornercorner with one O(15)Li3V2 trigonal bipyramid, corners with three equivalent O(16)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid, edges with two equivalent O(8)Li3V2 square pyramids,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(6)Li3V2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(5), one V(2), and one V(6) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(8)Li3V2 square pyramid, corners with two equivalent O(5)Li3V2 trigonal bipyramids, corners with two equivalent O(6)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(7)Li3V2 square pyramid,  an edgeedge with one O(9)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid,  an edgeedge with one O(15)Li3V2 trigonal bipyramid,  an edgeedge with one O(16)Li3V2 trigonal bipyramid, and  an edgeedge with one O(2)LiV3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Li(4), one Li(6), one V(3), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(7)Li3V2 square pyramid,  a cornercorner with one O(9)Li3V2 square pyramid, corners with two equivalent O(5)Li3V2 trigonal bipyramids, corners with two equivalent O(6)Li3V2 trigonal bipyramids,  a cornercorner with one O(1)LiV3 trigonal pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(13)Li3V2 square pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(14)Li3V2 trigonal bipyramid,  an edgeedge with one O(15)Li3V2 trigonal bipyramid,  an edgeedge with one O(16)Li3V2 trigonal bipyramid, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Li(5), one V(3), and one V(4) atom to form OLi3V2 square pyramids that share  a cornercorner with one O(8)Li3V2 square pyramid,  a cornercorner with one O(9)Li3V2 square pyramid, corners with three equivalent O(7)Li3V2 square pyramids,  a cornercorner with one O(6)Li3V2 trigonal bipyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(9)Li3V2 square pyramid,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, edges with two equivalent O(15)Li3V2 trigonal bipyramids, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Li(6), one V(1), and one V(6) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(7)Li3V2 square pyramid, corners with three equivalent O(8)Li3V2 square pyramids,  a cornercorner with one O(5)Li3V2 trigonal bipyramid,  a cornercorner with one O(1)LiV3 trigonal pyramid,  an edgeedge with one O(10)Li3V2 square pyramid,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(6)Li3V2 trigonal bipyramid, edges with two equivalent O(16)Li3V2 trigonal bipyramids, 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(3), one Li(5), one V(4), and one V(5) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(10)Li3V2 square pyramid,  a cornercorner with one O(7)Li3V2 square pyramid, corners with three equivalent O(9)Li3V2 square pyramids,  a cornercorner with one O(6)Li3V2 trigonal bipyramid,  a cornercorner with one O(2)LiV3 trigonal pyramid,  an edgeedge with one O(7)Li3V2 square pyramid, edges with two equivalent O(13)Li3V2 square pyramids,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(5)Li3V2 trigonal bipyramid, and  an edgeedge with one O(1)LiV3 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(4), one Li(6), one V(1), and one V(2) atom to form OLi3V2 trigonal bipyramids that share  a cornercorner with one O(8)Li3V2 square pyramid,  a cornercorner with one O(9)Li3V2 square pyramid, corners with three equivalent O(10)Li3V2 square pyramids,  a cornercorner with one O(5)Li3V2 trigonal bipyramid,  a cornercorner with one O(1)LiV3 trigonal pyramid,  an edgeedge with one O(8)Li3V2 square pyramid,  an edgeedge with one O(11)Li3V2 trigonal bipyramid,  an edgeedge with one O(12)Li3V2 trigonal bipyramid,  an edgeedge with one O(6)Li3V2 trigonal bipyramid, edges with two equivalent O(14)Li3V2 trigonal bipyramids, and  an edgeedge with one O(2)LiV3 trigonal pyramid. is represented by the CIF file [CIF]
data_Li4V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   6.151
_cell_length_c   8.497
_cell_angle_alpha   86.027
_cell_angle_beta   90.093
_cell_angle_gamma   89.928
_symmetry_Int_Tables_number   1
_cell_volume   305.135
_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  0.007  0.002  0.999  1.0
  Li  Li1  1  0.493  0.503  0.500  1.0
  Li  Li2  1  0.496  0.498  0.000  1.0
  Li  Li3  1  0.005  0.999  0.501  1.0
  Li  Li4  1  0.493  0.214  0.857  1.0
  Li  Li5  1  0.008  0.716  0.357  1.0
  Li  Li6  1  0.494  0.783  0.143  1.0
  Li  Li7  1  0.005  0.282  0.643  1.0
  V  V8  1  0.494  0.001  0.498  1.0
  V  V9  1  0.246  0.746  0.746  1.0
  V  V10  1  0.253  0.248  0.244  1.0
  V  V11  1  0.006  0.500  0.999  1.0
  V  V12  1  0.754  0.253  0.255  1.0
  V  V13  1  0.746  0.752  0.755  1.0
  O  O14  1  0.004  0.472  0.236  1.0
  O  O15  1  0.495  0.970  0.734  1.0
  O  O16  1  0.993  0.527  0.764  1.0
  O  O17  1  0.507  0.028  0.263  1.0
  O  O18  1  0.489  0.462  0.245  1.0
  O  O19  1  0.010  0.961  0.745  1.0
  O  O20  1  0.750  0.733  0.974  1.0
  O  O21  1  0.274  0.220  0.489  1.0
  O  O22  1  0.226  0.718  0.990  1.0
  O  O23  1  0.750  0.234  0.474  1.0
  O  O24  1  0.485  0.537  0.757  1.0
  O  O25  1  0.015  0.038  0.257  1.0
  O  O26  1  0.239  0.269  0.014  1.0
  O  O27  1  0.736  0.781  0.524  1.0
  O  O28  1  0.765  0.281  0.024  1.0
  O  O29  1  0.262  0.772  0.515  1.0
[/CIF]
.