The structure described by Li6VO4F crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(15,16); one O(3); one O(7,8); one O(9); and one F(1,2) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10); one O(15,16); one O(4); one O(7,8); and one F(1,2) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(13), one O(5), and one F(3) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(2), one O(6), and one F(4) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(13), one O(5), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one V(4)O4F trigonal bipyramid,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one V(2)O4F trigonal bipyramid, and  an edgeedge with one V(4)O4F trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(2), one O(6), and one F(3) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one V(2)O4F trigonal bipyramid,  an edgeedge with one Li(12)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one V(2)O4F trigonal bipyramid, and  an edgeedge with one V(4)O4F trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(10); one O(15,16); one O(3); one O(7,8); and one F(1,2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one V(3)O4F trigonal bipyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one V(1)O4F trigonal bipyramid, and  an edgeedge with one V(3)O4F trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(15,16); one O(4); one O(7,8); one O(9); and one F(1,2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one V(1)O4F trigonal bipyramid,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one V(1)O4F trigonal bipyramid, and  an edgeedge with one V(3)O4F trigonal bipyramid. In the ninth Li site, Li(9) is bonded to one O(1); one O(11); one O(7,8); and one F(1,2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(2)O4F trigonal bipyramids,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the tenth Li site, Li(10) is bonded to one O(12); one O(2); one O(7,8); and one F(1,2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(4)O4F trigonal bipyramids,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(7)O4F trigonal bipyramid. In the eleventh Li site, Li(11) is bonded to one O(3), one O(5), one O(9), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(1)O4F trigonal bipyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. In the twelfth Li site, Li(12) is bonded to one O(10), one O(4), one O(6), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(3)O4F trigonal bipyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the thirteenth Li site, Li(13) is bonded to one O(10), one O(3), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(2)O4F trigonal bipyramids,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(7)O4F trigonal bipyramid. In the fourteenth Li site, Li(14) is bonded to one O(4), one O(6), one O(9), and one F(4) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(4)O4F trigonal bipyramids,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the fifteenth Li site, Li(15) is bonded to one O(1); one O(12); one O(7,8); and one F(1,2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(3)O4F trigonal bipyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. In the sixteenth Li site, Li(16) is bonded to one O(11); one O(2); one O(7,8); and one F(1,2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(1)O4F trigonal bipyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the seventeenth Li site, Li(17) is bonded in a 3-coordinate geometry to one O(13), one O(3), one O(5), and one O(9) atom. In the eighteenth Li site, Li(18) is bonded in a 3-coordinate geometry to one O(10), one O(14), one O(4), and one O(6) atom. In the nineteenth Li site, Li(19) is bonded in a 3-coordinate geometry to one O(12); one O(15,16); one O(2); and one O(7,8) atom. In the twentieth Li site, Li(20) is bonded in a 3-coordinate geometry to one O(1); one O(11); one O(15,16); and one O(7,8) atom. In the twenty-first Li site, Li(21) is bonded in a 4-coordinate geometry to one O(1); one O(11); one O(13); one O(7,8); and one F(1,2) atom. In the twenty-second Li site, Li(22) is bonded in a 4-coordinate geometry to one O(12); one O(14); one O(2); one O(7,8); and one F(1,2) atom. In the twenty-third Li site, Li(23) is bonded in a 4-coordinate geometry to one O(15,16); one O(3); one O(5); one O(9); and one F(3) atom. In the twenty-fourth Li site, Li(24) is bonded in a 4-coordinate geometry to one O(10); one O(15,16); one O(4); one O(6); and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(15,16); one O(3); one O(7,8); one O(9); and one F(1,2) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(16)O3F tetrahedra,  a cornercorner with one Li(8)O4F trigonal bipyramid,  an edgeedge with one Li(7)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(11), one O(14), one O(5), and one F(3) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(6)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the third V site, V(3) is bonded to one O(10); one O(15,16); one O(4); one O(7,8); and one F(1,2) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(15)O3F tetrahedra,  a cornercorner with one Li(7)O4F trigonal bipyramid,  an edgeedge with one Li(7)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(12), one O(13), one O(2), one O(6), and one F(4) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(14)O3F tetrahedra,  a cornercorner with one Li(5)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(15), one Li(20), one Li(21), one Li(3), one Li(5), one Li(9), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the second O site, O(2) is bonded to one Li(10), one Li(16), one Li(19), one Li(22), one Li(4), one Li(6), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(11), one Li(13), one Li(17), one Li(23), one Li(7), and one V(1) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the fourth O site, O(4) is bonded to one Li(12), one Li(14), one Li(18), one Li(2), one Li(24), one Li(8), and one V(3) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(17), one Li(23), one Li(3), one Li(5), and one V(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(12), one Li(14), one Li(18), one Li(24), one Li(4), one Li(6), and one V(4) atom. In the seventh O site, O(7,8) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(16), one Li(19), one Li(22), one Li(7), and one V(1) atom. In the eighth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(11), one Li(14), one Li(17), one Li(23), one Li(8), and one V(1) atom. In the ninth O site, O(10) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(18), one Li(2), one Li(24), one Li(7), and one V(3) atom. In the tenth O site, O(11) is bonded in a 7-coordinate geometry to one Li(16), one Li(20), one Li(21), one Li(3), one Li(6), one Li(9), and one V(2) atom. In the eleventh O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(15), one Li(19), one Li(22), one Li(4), one Li(5), and one V(4) atom. In the twelfth O site, O(13) is bonded to one Li(17), one Li(21), one Li(3), one Li(5), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLi4V trigonal bipyramids. In the thirteenth O site, O(14) is bonded to one Li(18), one Li(22), one Li(4), one Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi4V trigonal bipyramids. In the fourteenth O site, O(15,16) is bonded to one Li(1), one Li(19), one Li(23), one Li(7), and one V(3) atom to form a mixture of distorted corner and edge-sharing OLi4V trigonal bipyramids. There are three inequivalent F sites. In the first F site, F(1,2) is bonded in a 6-coordinate geometry to one Li(1), one Li(16), one Li(22), one Li(8), one Li(9), and one V(1) atom. In the second F site, F(3) is bonded in a 6-coordinate geometry to one Li(12), one Li(13), one Li(23), one Li(3), one Li(6), and one V(2) atom. In the third F site, F(4) is bonded in a 6-coordinate geometry to one Li(11), one Li(14), one Li(24), one Li(4), one Li(5), and one V(4) atom. is represented by the CIF card [CIF]
data_Li6VO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.995
_cell_length_b   5.269
_cell_length_c   9.600
_cell_angle_alpha   89.959
_cell_angle_beta   89.967
_cell_angle_gamma   64.350
_symmetry_Int_Tables_number   1
_cell_volume   227.792
_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
  F  F0  1  0.927  0.667  0.896  1.0
  F  F1  1  0.072  0.335  0.395  1.0
  Li  Li2  1  0.565  0.591  0.741  1.0
  Li  Li3  1  0.434  0.409  0.241  1.0
  Li  Li4  1  0.803  0.625  0.243  1.0
  Li  Li5  1  0.197  0.375  0.743  1.0
  Li  Li6  1  0.276  0.517  0.001  1.0
  Li  Li7  1  0.724  0.484  0.501  1.0
  Li  Li8  1  0.217  0.552  0.504  1.0
  Li  Li9  1  0.783  0.447  0.004  1.0
  Li  Li10  1  0.729  0.983  0.450  1.0
  Li  Li11  1  0.271  0.017  0.950  1.0
  Li  Li12  1  0.668  0.994  0.062  1.0
  Li  Li13  1  0.331  0.006  0.561  1.0
  O  O14  1  0.453  0.720  0.099  1.0
  O  O15  1  0.547  0.279  0.599  1.0
  O  O16  1  0.407  0.745  0.393  1.0
  O  O17  1  0.592  0.256  0.892  1.0
  O  O18  1  0.851  0.696  0.618  1.0
  O  O19  1  0.151  0.303  0.118  1.0
  O  O20  1  0.787  0.018  0.253  1.0
  O  O21  1  0.213  0.982  0.752  1.0
  V  V22  1  0.817  0.002  0.741  1.0
  V  V23  1  0.182  0.998  0.242  1.0
[/CIF]
.
The structure described by Li6VO4F crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(15,16); one O(3); one O(7,8); one O(9); and one F(1,2) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10); one O(15,16); one O(4); one O(7,8); and one F(1,2) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(13), one O(5), and one F(3) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(2), one O(6), and one F(4) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(13), one O(5), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one V(4)O4F trigonal bipyramid,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one V(2)O4F trigonal bipyramid, and  an edgeedge with one V(4)O4F trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(11), one O(14), one O(2), one O(6), and one F(3) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra,  a cornercorner with one V(2)O4F trigonal bipyramid,  an edgeedge with one Li(12)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra,  an edgeedge with one V(2)O4F trigonal bipyramid, and  an edgeedge with one V(4)O4F trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(10); one O(15,16); one O(3); one O(7,8); and one F(1,2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one V(3)O4F trigonal bipyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one V(1)O4F trigonal bipyramid, and  an edgeedge with one V(3)O4F trigonal bipyramid. In the eighth Li site, Li(8) is bonded to one O(15,16); one O(4); one O(7,8); one O(9); and one F(1,2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra,  a cornercorner with one V(1)O4F trigonal bipyramid,  an edgeedge with one Li(14)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one V(1)O4F trigonal bipyramid, and  an edgeedge with one V(3)O4F trigonal bipyramid. In the ninth Li site, Li(9) is bonded to one O(1); one O(11); one O(7,8); and one F(1,2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(2)O4F trigonal bipyramids,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the tenth Li site, Li(10) is bonded to one O(12); one O(2); one O(7,8); and one F(1,2) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(4)O4F trigonal bipyramids,  an edgeedge with one Li(15)O3F tetrahedra,  an edgeedge with one Li(16)O3F tetrahedra, and  an edgeedge with one Li(7)O4F trigonal bipyramid. In the eleventh Li site, Li(11) is bonded to one O(3), one O(5), one O(9), and one F(4) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(1)O4F trigonal bipyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. In the twelfth Li site, Li(12) is bonded to one O(10), one O(4), one O(6), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(3)O4F trigonal bipyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(14)O3F tetrahedra, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the thirteenth Li site, Li(13) is bonded to one O(10), one O(3), one O(5), and one F(3) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(2)O4F trigonal bipyramids,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(7)O4F trigonal bipyramid. In the fourteenth Li site, Li(14) is bonded to one O(4), one O(6), one O(9), and one F(4) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid,  a cornercorner with one V(1)O4F trigonal bipyramid,  a cornercorner with one V(3)O4F trigonal bipyramid, corners with two equivalent V(4)O4F trigonal bipyramids,  an edgeedge with one Li(11)O3F tetrahedra,  an edgeedge with one Li(12)O3F tetrahedra, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the fifteenth Li site, Li(15) is bonded to one O(1); one O(12); one O(7,8); and one F(1,2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(3)O4F trigonal bipyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. In the sixteenth Li site, Li(16) is bonded to one O(11); one O(2); one O(7,8); and one F(1,2) atom to form distorted LiO3F tetrahedra that share  a cornercorner with one Li(7)O4F trigonal bipyramid,  a cornercorner with one Li(8)O4F trigonal bipyramid,  a cornercorner with one V(2)O4F trigonal bipyramid,  a cornercorner with one V(4)O4F trigonal bipyramid, corners with two equivalent V(1)O4F trigonal bipyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the seventeenth Li site, Li(17) is bonded in a 3-coordinate geometry to one O(13), one O(3), one O(5), and one O(9) atom. In the eighteenth Li site, Li(18) is bonded in a 3-coordinate geometry to one O(10), one O(14), one O(4), and one O(6) atom. In the nineteenth Li site, Li(19) is bonded in a 3-coordinate geometry to one O(12); one O(15,16); one O(2); and one O(7,8) atom. In the twentieth Li site, Li(20) is bonded in a 3-coordinate geometry to one O(1); one O(11); one O(15,16); and one O(7,8) atom. In the twenty-first Li site, Li(21) is bonded in a 4-coordinate geometry to one O(1); one O(11); one O(13); one O(7,8); and one F(1,2) atom. In the twenty-second Li site, Li(22) is bonded in a 4-coordinate geometry to one O(12); one O(14); one O(2); one O(7,8); and one F(1,2) atom. In the twenty-third Li site, Li(23) is bonded in a 4-coordinate geometry to one O(15,16); one O(3); one O(5); one O(9); and one F(3) atom. In the twenty-fourth Li site, Li(24) is bonded in a 4-coordinate geometry to one O(10); one O(15,16); one O(4); one O(6); and one F(4) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(15,16); one O(3); one O(7,8); one O(9); and one F(1,2) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(11)O3F tetrahedra, corners with two equivalent Li(16)O3F tetrahedra,  a cornercorner with one Li(8)O4F trigonal bipyramid,  an edgeedge with one Li(7)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(11), one O(14), one O(5), and one F(3) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  a cornercorner with one Li(6)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. In the third V site, V(3) is bonded to one O(10); one O(15,16); one O(4); one O(7,8); and one F(1,2) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(14)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(12)O3F tetrahedra, corners with two equivalent Li(15)O3F tetrahedra,  a cornercorner with one Li(7)O4F trigonal bipyramid,  an edgeedge with one Li(7)O4F trigonal bipyramid, and  an edgeedge with one Li(8)O4F trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(12), one O(13), one O(2), one O(6), and one F(4) atom to form distorted VO4F trigonal bipyramids that share  a cornercorner with one Li(11)O3F tetrahedra,  a cornercorner with one Li(12)O3F tetrahedra,  a cornercorner with one Li(15)O3F tetrahedra,  a cornercorner with one Li(16)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(14)O3F tetrahedra,  a cornercorner with one Li(5)O4F trigonal bipyramid,  an edgeedge with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(15), one Li(20), one Li(21), one Li(3), one Li(5), one Li(9), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the second O site, O(2) is bonded to one Li(10), one Li(16), one Li(19), one Li(22), one Li(4), one Li(6), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(11), one Li(13), one Li(17), one Li(23), one Li(7), and one V(1) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the fourth O site, O(4) is bonded to one Li(12), one Li(14), one Li(18), one Li(2), one Li(24), one Li(8), and one V(3) atom to form a mixture of distorted corner and edge-sharing OLi6V pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(17), one Li(23), one Li(3), one Li(5), and one V(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(12), one Li(14), one Li(18), one Li(24), one Li(4), one Li(6), and one V(4) atom. In the seventh O site, O(7,8) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(16), one Li(19), one Li(22), one Li(7), and one V(1) atom. In the eighth O site, O(9) is bonded in a 7-coordinate geometry to one Li(1), one Li(11), one Li(14), one Li(17), one Li(23), one Li(8), and one V(1) atom. In the ninth O site, O(10) is bonded in a 7-coordinate geometry to one Li(12), one Li(13), one Li(18), one Li(2), one Li(24), one Li(7), and one V(3) atom. In the tenth O site, O(11) is bonded in a 7-coordinate geometry to one Li(16), one Li(20), one Li(21), one Li(3), one Li(6), one Li(9), and one V(2) atom. In the eleventh O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(15), one Li(19), one Li(22), one Li(4), one Li(5), and one V(4) atom. In the twelfth O site, O(13) is bonded to one Li(17), one Li(21), one Li(3), one Li(5), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLi4V trigonal bipyramids. In the thirteenth O site, O(14) is bonded to one Li(18), one Li(22), one Li(4), one Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing OLi4V trigonal bipyramids. In the fourteenth O site, O(15,16) is bonded to one Li(1), one Li(19), one Li(23), one Li(7), and one V(3) atom to form a mixture of distorted corner and edge-sharing OLi4V trigonal bipyramids. There are three inequivalent F sites. In the first F site, F(1,2) is bonded in a 6-coordinate geometry to one Li(1), one Li(16), one Li(22), one Li(8), one Li(9), and one V(1) atom. In the second F site, F(3) is bonded in a 6-coordinate geometry to one Li(12), one Li(13), one Li(23), one Li(3), one Li(6), and one V(2) atom. In the third F site, F(4) is bonded in a 6-coordinate geometry to one Li(11), one Li(14), one Li(24), one Li(4), one Li(5), and one V(4) atom. is represented by the CIF card [CIF]
data_Li6VO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.995
_cell_length_b   5.269
_cell_length_c   9.600
_cell_angle_alpha   89.959
_cell_angle_beta   89.967
_cell_angle_gamma   64.350
_symmetry_Int_Tables_number   1
_cell_volume   227.792
_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
  F  F0  1  0.927  0.667  0.896  1.0
  F  F1  1  0.072  0.335  0.395  1.0
  Li  Li2  1  0.565  0.591  0.741  1.0
  Li  Li3  1  0.434  0.409  0.241  1.0
  Li  Li4  1  0.803  0.625  0.243  1.0
  Li  Li5  1  0.197  0.375  0.743  1.0
  Li  Li6  1  0.276  0.517  0.001  1.0
  Li  Li7  1  0.724  0.484  0.501  1.0
  Li  Li8  1  0.217  0.552  0.504  1.0
  Li  Li9  1  0.783  0.447  0.004  1.0
  Li  Li10  1  0.729  0.983  0.450  1.0
  Li  Li11  1  0.271  0.017  0.950  1.0
  Li  Li12  1  0.668  0.994  0.062  1.0
  Li  Li13  1  0.331  0.006  0.561  1.0
  O  O14  1  0.453  0.720  0.099  1.0
  O  O15  1  0.547  0.279  0.599  1.0
  O  O16  1  0.407  0.745  0.393  1.0
  O  O17  1  0.592  0.256  0.892  1.0
  O  O18  1  0.851  0.696  0.618  1.0
  O  O19  1  0.151  0.303  0.118  1.0
  O  O20  1  0.787  0.018  0.253  1.0
  O  O21  1  0.213  0.982  0.752  1.0
  V  V22  1  0.817  0.002  0.741  1.0
  V  V23  1  0.182  0.998  0.242  1.0
[/CIF]
.