The crystal structure described by Li6V3W3O16 is Hausmannite-derived structured and 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(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent W(3)O6 octahedra, and corners with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-71°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the sixth Li site, Li(6) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one W(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and corners with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-74°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Li(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second W site, W(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Li(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the third W site, W(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form WO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one V(2), and one W(3) atom to form distorted OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(11)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  an edgeedge with one O(10)Li2V2 trigonal pyramid, and  an edgeedge with one O(6)Li2VW trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(6), one W(1), and one W(2) atom to form distorted OLi2W2 tetrahedra that share  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid, corners with two equivalent O(9)Li2W2 trigonal pyramids,  an edgeedge with one O(7)Li2VW tetrahedra, and  an edgeedge with one O(8)Li2VW tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one W(3) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one V(3), and one W(3) atom to form distorted OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(12)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  an edgeedge with one O(10)Li2V2 trigonal pyramid, and  an edgeedge with one O(1)Li2VW trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one V(1), and one W(1) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(14)Li2VW trigonal pyramids,  an edgeedge with one O(8)Li2VW tetrahedra, and  an edgeedge with one O(2)Li2W2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(6), one V(1), and one W(2) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(16)Li2VW trigonal pyramids,  an edgeedge with one O(7)Li2VW tetrahedra, and  an edgeedge with one O(2)Li2W2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(3), one Li(5), one W(1), and one W(2) atom to form distorted OLi2W2 trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra, corners with two equivalent O(2)Li2W2 tetrahedra,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  an edgeedge with one O(14)Li2VW trigonal pyramid, and  an edgeedge with one O(16)Li2VW trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one V(2), and one V(3) atom to form OLi2V2 trigonal pyramids that share  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(15)Li2V2 tetrahedra,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  an edgeedge with one O(1)Li2VW trigonal pyramid, and  an edgeedge with one O(6)Li2VW trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(5), one V(2), and one W(3) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(1)Li2VW trigonal pyramids,  an edgeedge with one O(15)Li2V2 tetrahedra, and  an edgeedge with one O(12)Li2VW tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one V(3), and one W(3) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(6)Li2VW trigonal pyramids,  an edgeedge with one O(15)Li2V2 tetrahedra, and  an edgeedge with one O(11)Li2VW tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(6), one V(2), one V(3), and one W(3) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one V(1), and one W(1) atom to form OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(7)Li2VW tetrahedra,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid,  an edgeedge with one O(16)Li2VW trigonal pyramid, and  an edgeedge with one O(9)Li2W2 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one V(2), and one V(3) atom to form distorted OLi2V2 tetrahedra that share  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(10)Li2V2 trigonal pyramids,  an edgeedge with one O(11)Li2VW tetrahedra, and  an edgeedge with one O(12)Li2VW tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one V(1), and one W(2) atom to form OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(8)Li2VW tetrahedra,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid,  an edgeedge with one O(14)Li2VW trigonal pyramid, and  an edgeedge with one O(9)Li2W2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6V3W3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.884
_cell_length_b   5.818
_cell_length_c   10.229
_cell_angle_alpha   90.094
_cell_angle_beta   90.688
_cell_angle_gamma   119.555
_symmetry_Int_Tables_number   1
_cell_volume   304.545
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.330  0.663  0.512  1.0
  Li  Li1  1  0.332  0.667  0.888  1.0
  Li  Li2  1  0.994  0.996  0.996  1.0
  Li  Li3  1  0.987  0.992  0.496  1.0
  Li  Li4  1  0.657  0.330  0.004  1.0
  Li  Li5  1  0.663  0.332  0.399  1.0
  V  V6  1  0.657  0.829  0.212  1.0
  V  V7  1  0.833  0.652  0.712  1.0
  V  V8  1  0.828  0.176  0.711  1.0
  W  W9  1  0.177  0.815  0.214  1.0
  W  W10  1  0.177  0.363  0.213  1.0
  W  W11  1  0.348  0.175  0.715  1.0
  O  O12  1  0.158  0.845  0.611  1.0
  O  O13  1  0.018  0.509  0.339  1.0
  O  O14  1  0.343  0.671  0.083  1.0
  O  O15  1  0.005  0.003  0.315  1.0
  O  O16  1  0.015  0.007  0.814  1.0
  O  O17  1  0.156  0.312  0.611  1.0
  O  O18  1  0.484  0.979  0.323  1.0
  O  O19  1  0.484  0.506  0.323  1.0
  O  O20  1  0.310  0.154  0.108  1.0
  O  O21  1  0.697  0.848  0.619  1.0
  O  O22  1  0.510  0.486  0.823  1.0
  O  O23  1  0.512  0.026  0.824  1.0
  O  O24  1  0.653  0.327  0.594  1.0
  O  O25  1  0.849  0.687  0.114  1.0
  O  O26  1  0.973  0.488  0.820  1.0
  O  O27  1  0.849  0.161  0.114  1.0
[/CIF]
.
The crystal structure described by Li6V3W3O16 is Hausmannite-derived structured and 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(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent W(3)O6 octahedra, and corners with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-71°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the sixth Li site, Li(6) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one W(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, and corners with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-74°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Li(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second W site, W(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Li(5)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the third W site, W(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form WO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one V(2), and one W(3) atom to form distorted OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(11)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  an edgeedge with one O(10)Li2V2 trigonal pyramid, and  an edgeedge with one O(6)Li2VW trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(6), one W(1), and one W(2) atom to form distorted OLi2W2 tetrahedra that share  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid, corners with two equivalent O(9)Li2W2 trigonal pyramids,  an edgeedge with one O(7)Li2VW tetrahedra, and  an edgeedge with one O(8)Li2VW tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one V(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one W(3) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one V(3), and one W(3) atom to form distorted OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(12)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  an edgeedge with one O(10)Li2V2 trigonal pyramid, and  an edgeedge with one O(1)Li2VW trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one V(1), and one W(1) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(14)Li2VW trigonal pyramids,  an edgeedge with one O(8)Li2VW tetrahedra, and  an edgeedge with one O(2)Li2W2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(6), one V(1), and one W(2) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(16)Li2VW trigonal pyramids,  an edgeedge with one O(7)Li2VW tetrahedra, and  an edgeedge with one O(2)Li2W2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(3), one Li(5), one W(1), and one W(2) atom to form distorted OLi2W2 trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra, corners with two equivalent O(2)Li2W2 tetrahedra,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  an edgeedge with one O(14)Li2VW trigonal pyramid, and  an edgeedge with one O(16)Li2VW trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one V(2), and one V(3) atom to form OLi2V2 trigonal pyramids that share  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(15)Li2V2 tetrahedra,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  an edgeedge with one O(1)Li2VW trigonal pyramid, and  an edgeedge with one O(6)Li2VW trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(5), one V(2), and one W(3) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(1)Li2VW trigonal pyramids,  an edgeedge with one O(15)Li2V2 tetrahedra, and  an edgeedge with one O(12)Li2VW tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one V(3), and one W(3) atom to form distorted OLi2VW tetrahedra that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(10)Li2V2 trigonal pyramid,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(6)Li2VW trigonal pyramids,  an edgeedge with one O(15)Li2V2 tetrahedra, and  an edgeedge with one O(11)Li2VW tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(6), one V(2), one V(3), and one W(3) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one V(1), and one W(1) atom to form OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(8)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(7)Li2VW tetrahedra,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid,  an edgeedge with one O(16)Li2VW trigonal pyramid, and  an edgeedge with one O(9)Li2W2 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(5), one V(2), and one V(3) atom to form distorted OLi2V2 tetrahedra that share  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(1)Li2VW trigonal pyramid,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(16)Li2VW trigonal pyramid,  a cornercorner with one O(6)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid, corners with two equivalent O(10)Li2V2 trigonal pyramids,  an edgeedge with one O(11)Li2VW tetrahedra, and  an edgeedge with one O(12)Li2VW tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one V(1), and one W(2) atom to form OLi2VW trigonal pyramids that share  a cornercorner with one O(15)Li2V2 tetrahedra,  a cornercorner with one O(11)Li2VW tetrahedra,  a cornercorner with one O(12)Li2VW tetrahedra,  a cornercorner with one O(7)Li2VW tetrahedra,  a cornercorner with one O(2)Li2W2 tetrahedra, corners with two equivalent O(8)Li2VW tetrahedra,  a cornercorner with one O(14)Li2VW trigonal pyramid,  a cornercorner with one O(9)Li2W2 trigonal pyramid,  an edgeedge with one O(14)Li2VW trigonal pyramid, and  an edgeedge with one O(9)Li2W2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6V3W3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.884
_cell_length_b   5.818
_cell_length_c   10.229
_cell_angle_alpha   90.094
_cell_angle_beta   90.688
_cell_angle_gamma   119.555
_symmetry_Int_Tables_number   1
_cell_volume   304.545
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.330  0.663  0.512  1.0
  Li  Li1  1  0.332  0.667  0.888  1.0
  Li  Li2  1  0.994  0.996  0.996  1.0
  Li  Li3  1  0.987  0.992  0.496  1.0
  Li  Li4  1  0.657  0.330  0.004  1.0
  Li  Li5  1  0.663  0.332  0.399  1.0
  V  V6  1  0.657  0.829  0.212  1.0
  V  V7  1  0.833  0.652  0.712  1.0
  V  V8  1  0.828  0.176  0.711  1.0
  W  W9  1  0.177  0.815  0.214  1.0
  W  W10  1  0.177  0.363  0.213  1.0
  W  W11  1  0.348  0.175  0.715  1.0
  O  O12  1  0.158  0.845  0.611  1.0
  O  O13  1  0.018  0.509  0.339  1.0
  O  O14  1  0.343  0.671  0.083  1.0
  O  O15  1  0.005  0.003  0.315  1.0
  O  O16  1  0.015  0.007  0.814  1.0
  O  O17  1  0.156  0.312  0.611  1.0
  O  O18  1  0.484  0.979  0.323  1.0
  O  O19  1  0.484  0.506  0.323  1.0
  O  O20  1  0.310  0.154  0.108  1.0
  O  O21  1  0.697  0.848  0.619  1.0
  O  O22  1  0.510  0.486  0.823  1.0
  O  O23  1  0.512  0.026  0.824  1.0
  O  O24  1  0.653  0.327  0.594  1.0
  O  O25  1  0.849  0.687  0.114  1.0
  O  O26  1  0.973  0.488  0.820  1.0
  O  O27  1  0.849  0.161  0.114  1.0
[/CIF]
.