The material described by Li8VO6 crystallizes in the triclinic P-1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, edges with two equivalent Li(13)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(9), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(11)O4 tetrahedra, and edges with two equivalent Li(15)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra,  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 Li(13)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the sixth Li site, Li(6) is bonded to one O(10), one O(6), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  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 Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the eighth Li site, Li(8) is bonded to one O(12), one O(8), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the ninth Li site, Li(9) is bonded to one O(1), one O(12), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the tenth Li site, Li(10) is bonded to one O(11), one O(2), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the eleventh Li site, Li(11) is bonded to one O(10), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the twelfth Li site, Li(12) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. In the fourteenth Li site, Li(14) is bonded to one O(2), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. In the fifteenth Li site, Li(15) is bonded to one O(11), one O(3), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. In the sixteenth Li site, Li(16) is bonded to one O(4), one O(5), and two equivalent O(12) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(13), one Li(5), one Li(7), one Li(9), two equivalent Li(1), and one V(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(4), two equivalent Li(6), and one V(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(11), one Li(15), one Li(5), one Li(7), two equivalent Li(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(12), one Li(16), one Li(2), one Li(4), two equivalent Li(8), and one V(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(12), one Li(16), one Li(2), one Li(4), one Li(5), one Li(9), and one V(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(15), one Li(6), two equivalent Li(3), and one V(1) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(14), one Li(2), one Li(4), one Li(7), and one V(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(8), one Li(9), two equivalent Li(1), and one V(2) atom. In the ninth O site, O(9) is bonded to one Li(12), one Li(13), one Li(15), one Li(3), one Li(4), one Li(5), and one V(1) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the tenth O site, O(10) is bonded to one Li(11), one Li(3), one Li(4), one Li(6), two equivalent Li(14), and one V(1) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(10), one Li(13), one Li(15), one Li(2), one Li(7), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(8), one Li(9), two equivalent Li(16), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.441
_cell_length_c   5.856
_cell_angle_alpha   91.149
_cell_angle_beta   116.071
_cell_angle_gamma   119.160
_symmetry_Int_Tables_number   1
_cell_volume   127.446
_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  0.305  0.643  0.978  1.0
  Li  Li1  1  0.696  0.357  0.022  1.0
  Li  Li2  1  0.258  0.493  0.359  1.0
  Li  Li3  1  0.137  0.239  0.648  1.0
  Li  Li4  1  0.412  0.899  0.649  1.0
  Li  Li5  1  0.588  0.101  0.351  1.0
  Li  Li6  1  0.863  0.761  0.352  1.0
  Li  Li7  1  0.742  0.507  0.641  1.0
  O  O8  1  0.532  0.622  0.767  1.0
  O  O9  1  0.868  0.091  0.234  1.0
  O  O10  1  0.151  0.768  0.235  1.0
  O  O11  1  0.850  0.232  0.765  1.0
  O  O12  1  0.131  0.909  0.766  1.0
  O  O13  1  0.468  0.378  0.233  1.0
  V  V14  1  0.000  0.000  1.000  1.0
[/CIF]
.
The material described by Li8VO6 crystallizes in the triclinic P-1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent V(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, edges with two equivalent Li(13)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(9), two equivalent O(3), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent V(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(11)O4 tetrahedra, and edges with two equivalent Li(15)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(3), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra,  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 Li(13)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the sixth Li site, Li(6) is bonded to one O(10), one O(6), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra,  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 Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(3), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the eighth Li site, Li(8) is bonded to one O(12), one O(8), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the ninth Li site, Li(9) is bonded to one O(1), one O(12), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(13)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the tenth Li site, Li(10) is bonded to one O(11), one O(2), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(14)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the eleventh Li site, Li(11) is bonded to one O(10), one O(3), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the twelfth Li site, Li(12) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-63°. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. In the fourteenth Li site, Li(14) is bonded to one O(2), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. In the fifteenth Li site, Li(15) is bonded to one O(11), one O(3), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. In the sixteenth Li site, Li(16) is bonded to one O(4), one O(5), and two equivalent O(12) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra,  an edgeedge with one Li(14)O4 tetrahedra,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(13)O4 tetrahedra,  a cornercorner with one Li(14)O4 tetrahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(13)O4 tetrahedra,  an edgeedge with one Li(16)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Li(9)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(13), one Li(5), one Li(7), one Li(9), two equivalent Li(1), and one V(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(4), two equivalent Li(6), and one V(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(11), one Li(15), one Li(5), one Li(7), two equivalent Li(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(12), one Li(16), one Li(2), one Li(4), two equivalent Li(8), and one V(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(12), one Li(16), one Li(2), one Li(4), one Li(5), one Li(9), and one V(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(15), one Li(6), two equivalent Li(3), and one V(1) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), one Li(14), one Li(2), one Li(4), one Li(7), and one V(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(8), one Li(9), two equivalent Li(1), and one V(2) atom. In the ninth O site, O(9) is bonded to one Li(12), one Li(13), one Li(15), one Li(3), one Li(4), one Li(5), and one V(1) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the tenth O site, O(10) is bonded to one Li(11), one Li(3), one Li(4), one Li(6), two equivalent Li(14), and one V(1) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(10), one Li(13), one Li(15), one Li(2), one Li(7), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(8), one Li(9), two equivalent Li(16), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8VO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.441
_cell_length_c   5.856
_cell_angle_alpha   91.149
_cell_angle_beta   116.071
_cell_angle_gamma   119.160
_symmetry_Int_Tables_number   1
_cell_volume   127.446
_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  0.305  0.643  0.978  1.0
  Li  Li1  1  0.696  0.357  0.022  1.0
  Li  Li2  1  0.258  0.493  0.359  1.0
  Li  Li3  1  0.137  0.239  0.648  1.0
  Li  Li4  1  0.412  0.899  0.649  1.0
  Li  Li5  1  0.588  0.101  0.351  1.0
  Li  Li6  1  0.863  0.761  0.352  1.0
  Li  Li7  1  0.742  0.507  0.641  1.0
  O  O8  1  0.532  0.622  0.767  1.0
  O  O9  1  0.868  0.091  0.234  1.0
  O  O10  1  0.151  0.768  0.235  1.0
  O  O11  1  0.850  0.232  0.765  1.0
  O  O12  1  0.131  0.909  0.766  1.0
  O  O13  1  0.468  0.378  0.233  1.0
  V  V14  1  0.000  0.000  1.000  1.0
[/CIF]
.