The material structure described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(6), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one V(3)O3F3 octahedra,  a cornercorner with one V(4)O4F2 octahedra, corners with two equivalent V(6)O3F3 octahedra,  an edgeedge with one V(4)O4F2 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 62-70°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(6), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and edges with two equivalent Li(1)O3F trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-56°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(4), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(3)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one F(2), one F(4), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(2)O3F3 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(6), one F(3), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(3)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 46-54°. In the fifth V site, V(5) is bonded to one O(2), one O(4), one O(5), one O(7), one F(1), and one F(3) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(3)O3F3 octahedra,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 46-55°. In the sixth V site, V(6) is bonded to one O(5), one O(6), one O(7), one F(1), one F(2), and one F(3) atom to form VO3F3 octahedra that share corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(4)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, corners with two equivalent Li(1)O3F trigonal pyramids,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one V(4) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(4), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), 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 4-coordinate geometry to one Li(1), one V(1), one V(5), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.853
_cell_length_b   5.697
_cell_length_c   7.764
_cell_angle_alpha   85.387
_cell_angle_beta   89.128
_cell_angle_gamma   88.875
_symmetry_Int_Tables_number   1
_cell_volume   213.904
_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  0.497  0.911  0.088  1.0
  V  V1  1  0.999  0.001  0.996  1.0
  V  V2  1  0.026  0.325  0.663  1.0
  V  V3  1  0.485  0.846  0.662  1.0
  V  V4  1  0.491  0.480  0.994  1.0
  V  V5  1  0.545  0.186  0.356  1.0
  V  V6  1  0.952  0.670  0.329  1.0
  O  O7  1  0.188  0.290  0.899  1.0
  O  O8  1  0.311  0.134  0.567  1.0
  O  O9  1  0.313  0.793  0.900  1.0
  O  O10  1  0.683  0.192  0.105  1.0
  O  O11  1  0.696  0.864  0.440  1.0
  O  O12  1  0.796  0.703  0.095  1.0
  O  O13  1  0.816  0.372  0.444  1.0
  F  F14  1  0.200  0.967  0.233  1.0
  F  F15  1  0.197  0.637  0.559  1.0
  F  F16  1  0.301  0.476  0.240  1.0
  F  F17  1  0.699  0.533  0.757  1.0
  F  F18  1  0.801  0.035  0.762  1.0
[/CIF]
.
The material structure described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(3), one O(4), one O(6), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one V(3)O3F3 octahedra,  a cornercorner with one V(4)O4F2 octahedra, corners with two equivalent V(6)O3F3 octahedra,  an edgeedge with one V(4)O4F2 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 62-70°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(6), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and edges with two equivalent Li(1)O3F trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-56°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(4), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(3)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one F(2), one F(4), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(2)O3F3 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(6), one F(3), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(3)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 46-54°. In the fifth V site, V(5) is bonded to one O(2), one O(4), one O(5), one O(7), one F(1), and one F(3) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(3)O3F3 octahedra,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 46-55°. In the sixth V site, V(6) is bonded to one O(5), one O(6), one O(7), one F(1), one F(2), and one F(3) atom to form VO3F3 octahedra that share corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(4)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, corners with two equivalent Li(1)O3F trigonal pyramids,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one V(4) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(4), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(4), and one V(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), 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 4-coordinate geometry to one Li(1), one V(1), one V(5), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.853
_cell_length_b   5.697
_cell_length_c   7.764
_cell_angle_alpha   85.387
_cell_angle_beta   89.128
_cell_angle_gamma   88.875
_symmetry_Int_Tables_number   1
_cell_volume   213.904
_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  0.497  0.911  0.088  1.0
  V  V1  1  0.999  0.001  0.996  1.0
  V  V2  1  0.026  0.325  0.663  1.0
  V  V3  1  0.485  0.846  0.662  1.0
  V  V4  1  0.491  0.480  0.994  1.0
  V  V5  1  0.545  0.186  0.356  1.0
  V  V6  1  0.952  0.670  0.329  1.0
  O  O7  1  0.188  0.290  0.899  1.0
  O  O8  1  0.311  0.134  0.567  1.0
  O  O9  1  0.313  0.793  0.900  1.0
  O  O10  1  0.683  0.192  0.105  1.0
  O  O11  1  0.696  0.864  0.440  1.0
  O  O12  1  0.796  0.703  0.095  1.0
  O  O13  1  0.816  0.372  0.444  1.0
  F  F14  1  0.200  0.967  0.233  1.0
  F  F15  1  0.197  0.637  0.559  1.0
  F  F16  1  0.301  0.476  0.240  1.0
  F  F17  1  0.699  0.533  0.757  1.0
  F  F18  1  0.801  0.035  0.762  1.0
[/CIF]
.