The material structure described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one V(4)O3F3 octahedra,  a cornercorner with one V(6)O3F3 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 59-69°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with three equivalent V(2)O3F3 octahedra, corners with three equivalent V(6)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-58°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(4) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(5)O4F2 octahedra, corners with three equivalent V(4)O3F3 octahedra, corners with three equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(6)O3F3 octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-59°. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with three equivalent V(4)O3F3 octahedra, corners with three equivalent V(5)O4F2 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-54°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with three equivalent V(2)O3F3 octahedra, corners with three equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-57°. In the fifth V site, V(5) is bonded to one O(1), one O(4), one O(5), one O(7), one F(4), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with three equivalent V(6)O3F3 octahedra, corners with three equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(4)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-59°. In the sixth V site, V(6) is bonded to one O(1), one O(6), one O(7), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O3F3 octahedra, corners with three equivalent V(1)O4F2 octahedra, corners with three equivalent V(5)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(5), and one V(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one V(6) atom. is represented by the CIF card [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.693
_cell_length_c   7.562
_cell_angle_alpha   71.376
_cell_angle_beta   71.140
_cell_angle_gamma   72.154
_symmetry_Int_Tables_number   1
_cell_volume   213.395
_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  0.432  0.927  0.572  1.0
  V  V1  1  0.679  0.663  0.849  1.0
  V  V2  1  0.375  0.339  0.690  1.0
  V  V3  1  0.668  0.655  0.320  1.0
  V  V4  1  0.990  0.024  0.484  1.0
  V  V5  1  0.320  0.306  0.159  1.0
  V  V6  1  0.971  0.024  0.998  1.0
  O  O7  1  0.222  0.223  0.968  1.0
  O  O8  1  0.577  0.579  0.630  1.0
  O  O9  1  0.643  0.025  0.668  1.0
  O  O10  1  0.966  0.364  0.329  1.0
  O  O11  1  0.358  0.949  0.343  1.0
  O  O12  1  0.772  0.772  0.034  1.0
  O  O13  1  0.680  0.312  0.002  1.0
  F  F14  1  0.050  0.636  0.664  1.0
  F  F15  1  0.111  0.109  0.693  1.0
  F  F16  1  0.889  0.904  0.296  1.0
  F  F17  1  0.430  0.415  0.374  1.0
  F  F18  1  0.291  0.702  0.002  1.0
[/CIF]
.
The material structure described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), one O(3), one O(5), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one V(4)O3F3 octahedra,  a cornercorner with one V(6)O3F3 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 59-69°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with three equivalent V(2)O3F3 octahedra, corners with three equivalent V(6)O3F3 octahedra,  an edgeedge with one V(4)O3F3 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-58°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(4) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(5)O4F2 octahedra, corners with three equivalent V(4)O3F3 octahedra, corners with three equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(6)O3F3 octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-59°. In the third V site, V(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with three equivalent V(4)O3F3 octahedra, corners with three equivalent V(5)O4F2 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-54°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with three equivalent V(2)O3F3 octahedra, corners with three equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-57°. In the fifth V site, V(5) is bonded to one O(1), one O(4), one O(5), one O(7), one F(4), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with three equivalent V(6)O3F3 octahedra, corners with three equivalent V(3)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(4)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-59°. In the sixth V site, V(6) is bonded to one O(1), one O(6), one O(7), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O3F3 octahedra, corners with three equivalent V(1)O4F2 octahedra, corners with three equivalent V(5)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one V(3), one V(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(5), and one V(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one V(6) atom. is represented by the CIF card [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.693
_cell_length_c   7.562
_cell_angle_alpha   71.376
_cell_angle_beta   71.140
_cell_angle_gamma   72.154
_symmetry_Int_Tables_number   1
_cell_volume   213.395
_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  0.432  0.927  0.572  1.0
  V  V1  1  0.679  0.663  0.849  1.0
  V  V2  1  0.375  0.339  0.690  1.0
  V  V3  1  0.668  0.655  0.320  1.0
  V  V4  1  0.990  0.024  0.484  1.0
  V  V5  1  0.320  0.306  0.159  1.0
  V  V6  1  0.971  0.024  0.998  1.0
  O  O7  1  0.222  0.223  0.968  1.0
  O  O8  1  0.577  0.579  0.630  1.0
  O  O9  1  0.643  0.025  0.668  1.0
  O  O10  1  0.966  0.364  0.329  1.0
  O  O11  1  0.358  0.949  0.343  1.0
  O  O12  1  0.772  0.772  0.034  1.0
  O  O13  1  0.680  0.312  0.002  1.0
  F  F14  1  0.050  0.636  0.664  1.0
  F  F15  1  0.111  0.109  0.693  1.0
  F  F16  1  0.889  0.904  0.296  1.0
  F  F17  1  0.430  0.415  0.374  1.0
  F  F18  1  0.291  0.702  0.002  1.0
[/CIF]
.