The compound described by Li7VO5F crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), 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(2)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second Li site, Li(2) 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(1)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-54°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), 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(5)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one F(1) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(3), 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(3)O3F tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 26-52°. In the sixth Li site, Li(6) is bonded to one O(2), 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(3)O3F tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the seventh Li site, Li(7) 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. 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 distorted VO5F octahedra that share corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), one Li(7), and one V(1) atom. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one V(1) atom to form a mixture of distorted edge and corner-sharing OLi5V pentagonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one V(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Li(7), and one V(1) atom to form a mixture of distorted edge and corner-sharing OLi5V pentagonal pyramids. F(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one V(1) atom. is represented by the CIF card [CIF]
data_Li7VO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.556
_cell_length_c   5.772
_cell_angle_alpha   61.533
_cell_angle_beta   62.923
_cell_angle_gamma   61.220
_symmetry_Int_Tables_number   1
_cell_volume   130.486
_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  0.883  0.275  0.332  1.0
  Li  Li1  1  0.251  0.511  0.355  1.0
  Li  Li2  1  0.507  0.061  0.680  1.0
  Li  Li3  1  0.525  0.872  0.316  1.0
  Li  Li4  1  0.772  0.494  0.667  1.0
  Li  Li5  1  0.068  0.764  0.654  1.0
  Li  Li6  1  0.316  0.358  0.964  1.0
  V  V7  1  0.037  0.974  0.980  1.0
  O  O8  1  0.929  0.622  0.240  1.0
  O  O9  1  0.774  0.102  0.781  1.0
  O  O10  1  0.368  0.760  0.759  1.0
  O  O11  1  0.188  0.934  0.241  1.0
  O  O12  1  0.124  0.354  0.753  1.0
  F  F13  1  0.601  0.214  0.270  1.0
[/CIF]
.
The compound described by Li7VO5F crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), 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(2)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second Li site, Li(2) 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(1)O3F tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-54°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), 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(5)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one F(1) atom. In the fifth Li site, Li(5) is bonded to one O(1), one O(2), one O(3), 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(3)O3F tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 26-52°. In the sixth Li site, Li(6) is bonded to one O(2), 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(3)O3F tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one Li(1)O3F tetrahedra, and  an edgeedge with one Li(2)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the seventh Li site, Li(7) 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. 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 distorted VO5F octahedra that share corners with two equivalent Li(1)O3F tetrahedra, corners with two equivalent Li(2)O3F tetrahedra, corners with two equivalent Li(3)O3F tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(1)O3F tetrahedra,  an edgeedge with one Li(2)O3F tetrahedra,  an edgeedge with one Li(3)O3F tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(5), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), one Li(7), and one V(1) atom. In the third O site, O(3) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one V(1) atom to form a mixture of distorted edge and corner-sharing OLi5V pentagonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one V(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Li(7), and one V(1) atom to form a mixture of distorted edge and corner-sharing OLi5V pentagonal pyramids. F(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one V(1) atom. is represented by the CIF card [CIF]
data_Li7VO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.556
_cell_length_c   5.772
_cell_angle_alpha   61.533
_cell_angle_beta   62.923
_cell_angle_gamma   61.220
_symmetry_Int_Tables_number   1
_cell_volume   130.486
_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  0.883  0.275  0.332  1.0
  Li  Li1  1  0.251  0.511  0.355  1.0
  Li  Li2  1  0.507  0.061  0.680  1.0
  Li  Li3  1  0.525  0.872  0.316  1.0
  Li  Li4  1  0.772  0.494  0.667  1.0
  Li  Li5  1  0.068  0.764  0.654  1.0
  Li  Li6  1  0.316  0.358  0.964  1.0
  V  V7  1  0.037  0.974  0.980  1.0
  O  O8  1  0.929  0.622  0.240  1.0
  O  O9  1  0.774  0.102  0.781  1.0
  O  O10  1  0.368  0.760  0.759  1.0
  O  O11  1  0.188  0.934  0.241  1.0
  O  O12  1  0.124  0.354  0.753  1.0
  F  F13  1  0.601  0.214  0.270  1.0
[/CIF]
.