The crystal structure described by LiV6O11F crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(3)O5F octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-70°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(4)O6 octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-52°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(6)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one V(5)O5F octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form distorted VO5F octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(3)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the sixth V site, V(6) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-52°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(2), one V(3), and one V(6) atom. F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.683
_cell_length_b   4.716
_cell_length_c   8.999
_cell_angle_alpha   89.813
_cell_angle_beta   90.225
_cell_angle_gamma   91.693
_symmetry_Int_Tables_number   1
_cell_volume   198.669
_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  0.004  0.503  0.407  1.0
  V  V1  1  0.017  0.983  0.015  1.0
  V  V2  1  0.999  0.002  0.329  1.0
  V  V3  1  0.006  0.993  0.662  1.0
  V  V4  1  0.524  0.476  0.162  1.0
  V  V5  1  0.461  0.539  0.836  1.0
  V  V6  1  0.510  0.489  0.508  1.0
  O  O7  1  0.202  0.798  0.155  1.0
  O  O8  1  0.198  0.800  0.496  1.0
  O  O9  1  0.195  0.804  0.840  1.0
  O  O10  1  0.302  0.305  1.000  1.0
  O  O11  1  0.300  0.314  0.330  1.0
  O  O12  1  0.302  0.311  0.671  1.0
  O  O13  1  0.694  0.698  1.000  1.0
  O  O14  1  0.697  0.693  0.331  1.0
  O  O15  1  0.690  0.697  0.671  1.0
  O  O16  1  0.800  0.204  0.161  1.0
  O  O17  1  0.790  0.214  0.496  1.0
  F  F18  1  0.807  0.192  0.839  1.0
[/CIF]
.
The crystal structure described by LiV6O11F crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent V(3)O5F octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-70°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(4)O6 octahedra, corners with four equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-52°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(5)O5F octahedra, corners with four equivalent V(6)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one V(1)O5F octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(2)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one V(5)O5F octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one O(6), one O(7), one O(9), and one F(1) atom to form distorted VO5F octahedra that share corners with four equivalent V(1)O5F octahedra, corners with four equivalent V(3)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the sixth V site, V(6) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent V(3)O5F octahedra, corners with four equivalent V(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-52°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(2), one V(3), and one V(6) atom. F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.683
_cell_length_b   4.716
_cell_length_c   8.999
_cell_angle_alpha   89.813
_cell_angle_beta   90.225
_cell_angle_gamma   91.693
_symmetry_Int_Tables_number   1
_cell_volume   198.669
_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  0.004  0.503  0.407  1.0
  V  V1  1  0.017  0.983  0.015  1.0
  V  V2  1  0.999  0.002  0.329  1.0
  V  V3  1  0.006  0.993  0.662  1.0
  V  V4  1  0.524  0.476  0.162  1.0
  V  V5  1  0.461  0.539  0.836  1.0
  V  V6  1  0.510  0.489  0.508  1.0
  O  O7  1  0.202  0.798  0.155  1.0
  O  O8  1  0.198  0.800  0.496  1.0
  O  O9  1  0.195  0.804  0.840  1.0
  O  O10  1  0.302  0.305  1.000  1.0
  O  O11  1  0.300  0.314  0.330  1.0
  O  O12  1  0.302  0.311  0.671  1.0
  O  O13  1  0.694  0.698  1.000  1.0
  O  O14  1  0.697  0.693  0.331  1.0
  O  O15  1  0.690  0.697  0.671  1.0
  O  O16  1  0.800  0.204  0.161  1.0
  O  O17  1  0.790  0.214  0.496  1.0
  F  F18  1  0.807  0.192  0.839  1.0
[/CIF]
.