The compound described by Li8VO5F crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 18-51°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 18-53°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one F(1) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(5), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 17-54°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form VO5F octahedra that share corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(7)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(8), and one V(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Li(6), one Li(7), and one V(1) atom. In the third O site, O(3) is bonded in a distorted pentagonal bipyramidal geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one V(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(8), and one V(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(7), one Li(8), and one V(1) atom. F(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(4), one Li(5), one Li(6), one Li(7), one Li(8), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8VO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   5.449
_cell_length_c   5.952
_cell_angle_alpha   90.668
_cell_angle_beta   116.347
_cell_angle_gamma   118.291
_symmetry_Int_Tables_number   1
_cell_volume   133.094
_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
  F  F0  1  0.501  0.402  0.261  1.0
  Li  Li1  1  0.243  0.482  0.363  1.0
  Li  Li2  1  0.131  0.235  0.653  1.0
  Li  Li3  1  0.407  0.895  0.642  1.0
  Li  Li4  1  0.717  0.347  0.011  1.0
  Li  Li5  1  0.309  0.679  0.963  1.0
  Li  Li6  1  0.588  0.091  0.358  1.0
  Li  Li7  1  0.888  0.783  0.362  1.0
  Li  Li8  1  0.753  0.517  0.653  1.0
  O  O9  1  0.512  0.604  0.759  1.0
  O  O10  1  0.858  0.094  0.239  1.0
  O  O11  1  0.152  0.766  0.234  1.0
  O  O12  1  0.840  0.228  0.763  1.0
  O  O13  1  0.130  0.902  0.755  1.0
  V  V14  1  0.970  0.978  0.984  1.0
[/CIF]
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The compound described by Li8VO5F crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(6)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 18-51°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(8)O3F tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 18-53°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one F(1) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(4), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(7)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-59°. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), one O(5), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(1)O3F tetrahedra, corners with three equivalent Li(6)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-54°. In the eighth Li site, Li(8) is bonded to one O(1), one O(4), one O(5), and one F(1) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O5F octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(7)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 17-54°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form VO5F octahedra that share corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(7)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(7)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(8), and one V(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Li(6), one Li(7), and one V(1) atom. In the third O site, O(3) is bonded in a distorted pentagonal bipyramidal geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one V(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(8), and one V(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(5), one Li(7), one Li(8), and one V(1) atom. F(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(4), one Li(5), one Li(6), one Li(7), one Li(8), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8VO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   5.449
_cell_length_c   5.952
_cell_angle_alpha   90.668
_cell_angle_beta   116.347
_cell_angle_gamma   118.291
_symmetry_Int_Tables_number   1
_cell_volume   133.094
_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
  F  F0  1  0.501  0.402  0.261  1.0
  Li  Li1  1  0.243  0.482  0.363  1.0
  Li  Li2  1  0.131  0.235  0.653  1.0
  Li  Li3  1  0.407  0.895  0.642  1.0
  Li  Li4  1  0.717  0.347  0.011  1.0
  Li  Li5  1  0.309  0.679  0.963  1.0
  Li  Li6  1  0.588  0.091  0.358  1.0
  Li  Li7  1  0.888  0.783  0.362  1.0
  Li  Li8  1  0.753  0.517  0.653  1.0
  O  O9  1  0.512  0.604  0.759  1.0
  O  O10  1  0.858  0.094  0.239  1.0
  O  O11  1  0.152  0.766  0.234  1.0
  O  O12  1  0.840  0.228  0.763  1.0
  O  O13  1  0.130  0.902  0.755  1.0
  V  V14  1  0.970  0.978  0.984  1.0
[/CIF]
.