The compound described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one F(1), and one F(5) atom. 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 a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(4), and one F(5) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one F(1), and one F(3) atom. In the fourth V site, V(4) is bonded to one O(3), one O(5), one O(6), one F(2), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(5)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, and corners with four equivalent V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)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 49-56°. 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(4) atom to form VO3F3 octahedra that share corners with four equivalent V(4)O3F3 octahedra,  an edgeedge with one V(5)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(6) 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(2), 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(2), and one V(3) 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(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to 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(3), 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(3), and one V(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one V(4), one V(5), 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 trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   5.672
_cell_length_c   7.836
_cell_angle_alpha   84.692
_cell_angle_beta   88.274
_cell_angle_gamma   87.115
_symmetry_Int_Tables_number   1
_cell_volume   216.389
_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  0.499  0.895  0.104  1.0
  V  V1  1  0.997  0.005  0.979  1.0
  V  V2  1  0.441  0.461  0.996  1.0
  V  V3  1  0.559  0.209  0.341  1.0
  V  V4  1  0.525  0.846  0.670  1.0
  V  V5  1  0.995  0.661  0.340  1.0
  V  V6  1  0.989  0.316  0.672  1.0
  O  O7  1  0.179  0.296  0.889  1.0
  O  O8  1  0.309  0.471  0.240  1.0
  O  O9  1  0.319  0.799  0.904  1.0
  O  O10  1  0.687  0.189  0.091  1.0
  O  O11  1  0.688  0.880  0.427  1.0
  O  O12  1  0.806  0.029  0.756  1.0
  O  O13  1  0.824  0.384  0.444  1.0
  F  F14  1  0.180  0.966  0.225  1.0
  F  F15  1  0.196  0.636  0.577  1.0
  F  F16  1  0.315  0.144  0.566  1.0
  F  F17  1  0.687  0.524  0.772  1.0
  F  F18  1  0.809  0.696  0.097  1.0
[/CIF]
.
The compound described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one F(1), and one F(5) atom. 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 a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(4), and one F(5) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one F(1), and one F(3) atom. In the fourth V site, V(4) is bonded to one O(3), one O(5), one O(6), one F(2), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(5)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, and corners with four equivalent V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)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 49-56°. 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(4) atom to form VO3F3 octahedra that share corners with four equivalent V(4)O3F3 octahedra,  an edgeedge with one V(5)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(6) 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(2), 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(2), and one V(3) 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(4), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to 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(3), 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(3), and one V(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one V(4), one V(5), 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 trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(2), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   5.672
_cell_length_c   7.836
_cell_angle_alpha   84.692
_cell_angle_beta   88.274
_cell_angle_gamma   87.115
_symmetry_Int_Tables_number   1
_cell_volume   216.389
_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  0.499  0.895  0.104  1.0
  V  V1  1  0.997  0.005  0.979  1.0
  V  V2  1  0.441  0.461  0.996  1.0
  V  V3  1  0.559  0.209  0.341  1.0
  V  V4  1  0.525  0.846  0.670  1.0
  V  V5  1  0.995  0.661  0.340  1.0
  V  V6  1  0.989  0.316  0.672  1.0
  O  O7  1  0.179  0.296  0.889  1.0
  O  O8  1  0.309  0.471  0.240  1.0
  O  O9  1  0.319  0.799  0.904  1.0
  O  O10  1  0.687  0.189  0.091  1.0
  O  O11  1  0.688  0.880  0.427  1.0
  O  O12  1  0.806  0.029  0.756  1.0
  O  O13  1  0.824  0.384  0.444  1.0
  F  F14  1  0.180  0.966  0.225  1.0
  F  F15  1  0.196  0.636  0.577  1.0
  F  F16  1  0.315  0.144  0.566  1.0
  F  F17  1  0.687  0.524  0.772  1.0
  F  F18  1  0.809  0.696  0.097  1.0
[/CIF]
.