The material described by Li3V4O8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(8)O6 octahedra, and  a faceface with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  a faceface with one Li(4)O4 tetrahedra, and  a faceface with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(8)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-69°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(7)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. In the fifth Li site, Li(5) is bonded to one O(12), one O(13), one O(15), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-70°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(16), and one O(4) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(13), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. In the fourth V site, V(4) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fifth V site, V(5) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the seventh V site, V(7) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(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(3), one V(6), one V(7), and one V(8) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(5), one V(3), one V(6), and one V(7) atom. In the fourth O site, O(4) is bonded to one Li(6), one V(1), one V(2), and one V(8) atom to form a mixture of distorted edge and corner-sharing OLiV3 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(4), one V(6), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(13)Li2V3 square pyramid, corners with two equivalent O(15)Li2V3 square pyramids, corners with two equivalent O(16)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(9)Li2V3 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid, corners with two equivalent O(15)Li2V3 square pyramids, corners with two equivalent O(16)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(13)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(10)Li2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one V(4), one V(6), and one V(7) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(16)Li2V3 square pyramid, corners with three equivalent O(12)Li2V3 square pyramids, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one V(4), one V(7), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(15)Li2V3 square pyramid, corners with two equivalent O(13)Li2V3 square pyramids, corners with two equivalent O(14)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(5)Li2V3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(16)Li2V3 square pyramid, corners with two equivalent O(13)Li2V3 square pyramids, corners with two equivalent O(14)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(15)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(6)Li2V3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(6), one V(4), one V(6), and one V(7) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with three equivalent O(7)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(13)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(15)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid, corners with three equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(13)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(15)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one O(4)LiV3 tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(5), one V(3), one V(4), and one V(7) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(6), one V(2), one V(5), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(10)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(16)Li2V3 square pyramids, and  an edgeedge with one O(4)LiV3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one V(3), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one V(1), one V(5), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(5)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(14)Li2V3 square pyramids, and  an edgeedge with one O(4)LiV3 tetrahedra. is represented by the CIF card [CIF]
data_Li3V4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   10.204
_cell_length_c   6.138
_cell_angle_alpha   73.401
_cell_angle_beta   119.111
_cell_angle_gamma   90.369
_symmetry_Int_Tables_number   1
_cell_volume   306.685
_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  0.502  0.999  0.503  1.0
  Li  Li1  1  0.006  0.495  0.504  1.0
  Li  Li2  1  0.285  0.072  0.070  1.0
  Li  Li3  1  0.790  0.570  0.071  1.0
  Li  Li4  1  0.218  0.426  0.934  1.0
  Li  Li5  1  0.713  0.930  0.934  1.0
  V  V6  1  0.248  0.751  0.497  1.0
  V  V7  1  0.747  0.747  0.500  1.0
  V  V8  1  0.506  0.499  0.501  1.0
  V  V9  1  0.746  0.251  0.996  1.0
  V  V10  1  0.249  0.751  0.998  1.0
  V  V11  1  0.746  0.249  0.497  1.0
  V  V12  1  0.251  0.250  0.499  1.0
  V  V13  1  0.997  0.006  0.500  1.0
  O  O14  1  0.101  0.123  0.705  1.0
  O  O15  1  0.615  0.639  0.703  1.0
  O  O16  1  0.398  0.370  0.295  1.0
  O  O17  1  0.888  0.871  0.305  1.0
  O  O18  1  0.647  0.124  0.261  1.0
  O  O19  1  0.150  0.629  0.265  1.0
  O  O20  1  0.886  0.363  0.271  1.0
  O  O21  1  0.387  0.863  0.265  1.0
  O  O22  1  0.110  0.123  0.261  1.0
  O  O23  1  0.625  0.634  0.260  1.0
  O  O24  1  0.615  0.135  0.729  1.0
  O  O25  1  0.110  0.637  0.731  1.0
  O  O26  1  0.386  0.370  0.743  1.0
  O  O27  1  0.879  0.874  0.730  1.0
  O  O28  1  0.855  0.372  0.739  1.0
  O  O29  1  0.345  0.876  0.729  1.0
[/CIF]
.
The material described by Li3V4O8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(8)O6 octahedra, and  a faceface with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  a faceface with one Li(4)O4 tetrahedra, and  a faceface with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to one O(1), one O(5), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(8)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-69°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(7)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. In the fifth Li site, Li(5) is bonded to one O(12), one O(13), one O(15), and one O(3) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-70°. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(16), and one O(4) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(13), one O(15), one O(2), one O(3), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. In the fourth V site, V(4) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fifth V site, V(5) 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 VO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the seventh V site, V(7) is bonded to one O(1), one O(11), one O(13), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(16), one O(4), one O(5), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and edges with two equivalent Li(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(3), one V(6), one V(7), and one V(8) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(5), one V(3), one V(6), and one V(7) atom. In the fourth O site, O(4) is bonded to one Li(6), one V(1), one V(2), and one V(8) atom to form a mixture of distorted edge and corner-sharing OLiV3 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one V(4), one V(6), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(13)Li2V3 square pyramid, corners with two equivalent O(15)Li2V3 square pyramids, corners with two equivalent O(16)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(9)Li2V3 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid, corners with two equivalent O(15)Li2V3 square pyramids, corners with two equivalent O(16)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(13)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(10)Li2V3 square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one V(4), one V(6), and one V(7) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(14)Li2V3 square pyramid,  a cornercorner with one O(16)Li2V3 square pyramid, corners with three equivalent O(12)Li2V3 square pyramids, corners with two equivalent O(4)LiV3 tetrahedra,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one V(4), one V(7), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid,  a cornercorner with one O(15)Li2V3 square pyramid, corners with two equivalent O(13)Li2V3 square pyramids, corners with two equivalent O(14)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(5)Li2V3 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(16)Li2V3 square pyramid, corners with two equivalent O(13)Li2V3 square pyramids, corners with two equivalent O(14)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(15)Li2V3 square pyramid,  an edgeedge with one O(7)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(6)Li2V3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(6), one V(4), one V(6), and one V(7) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one O(9)Li2V3 square pyramid, corners with three equivalent O(7)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(13)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(15)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid, and  an edgeedge with one O(9)Li2V3 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(7)Li2V3 square pyramid, corners with three equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(13)Li2V3 square pyramid,  an edgeedge with one O(14)Li2V3 square pyramid,  an edgeedge with one O(15)Li2V3 square pyramid,  an edgeedge with one O(16)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one O(4)LiV3 tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(5), one V(3), one V(4), and one V(7) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(6), one V(2), one V(5), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(10)Li2V3 square pyramids, corners with two equivalent O(9)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(16)Li2V3 square pyramids, and  an edgeedge with one O(4)LiV3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one V(3), one V(4), and one V(6) atom to form a mixture of edge and corner-sharing OLi2V3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(6), one V(1), one V(5), and one V(8) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(5)Li2V3 square pyramids, corners with two equivalent O(6)Li2V3 square pyramids,  a cornercorner with one O(4)LiV3 tetrahedra,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one O(9)Li2V3 square pyramid, edges with two equivalent O(14)Li2V3 square pyramids, and  an edgeedge with one O(4)LiV3 tetrahedra. is represented by the CIF card [CIF]
data_Li3V4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   10.204
_cell_length_c   6.138
_cell_angle_alpha   73.401
_cell_angle_beta   119.111
_cell_angle_gamma   90.369
_symmetry_Int_Tables_number   1
_cell_volume   306.685
_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  0.502  0.999  0.503  1.0
  Li  Li1  1  0.006  0.495  0.504  1.0
  Li  Li2  1  0.285  0.072  0.070  1.0
  Li  Li3  1  0.790  0.570  0.071  1.0
  Li  Li4  1  0.218  0.426  0.934  1.0
  Li  Li5  1  0.713  0.930  0.934  1.0
  V  V6  1  0.248  0.751  0.497  1.0
  V  V7  1  0.747  0.747  0.500  1.0
  V  V8  1  0.506  0.499  0.501  1.0
  V  V9  1  0.746  0.251  0.996  1.0
  V  V10  1  0.249  0.751  0.998  1.0
  V  V11  1  0.746  0.249  0.497  1.0
  V  V12  1  0.251  0.250  0.499  1.0
  V  V13  1  0.997  0.006  0.500  1.0
  O  O14  1  0.101  0.123  0.705  1.0
  O  O15  1  0.615  0.639  0.703  1.0
  O  O16  1  0.398  0.370  0.295  1.0
  O  O17  1  0.888  0.871  0.305  1.0
  O  O18  1  0.647  0.124  0.261  1.0
  O  O19  1  0.150  0.629  0.265  1.0
  O  O20  1  0.886  0.363  0.271  1.0
  O  O21  1  0.387  0.863  0.265  1.0
  O  O22  1  0.110  0.123  0.261  1.0
  O  O23  1  0.625  0.634  0.260  1.0
  O  O24  1  0.615  0.135  0.729  1.0
  O  O25  1  0.110  0.637  0.731  1.0
  O  O26  1  0.386  0.370  0.743  1.0
  O  O27  1  0.879  0.874  0.730  1.0
  O  O28  1  0.855  0.372  0.739  1.0
  O  O29  1  0.345  0.876  0.729  1.0
[/CIF]
.