The material structure described by LiV6O11F crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(9), and one F(1) atom. 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, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. 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, and  an edgeedge with one V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom. 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,  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 42-53°. 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 VO5F octahedra that share corners with four equivalent V(1)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 44-59°. 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(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 3-coordinate geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one V(5) atom to form a mixture of distorted edge and corner-sharing OLiV3 tetrahedra. 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 trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(3), one V(5), and one V(6) atom to form a mixture of distorted edge and corner-sharing OLiV3 trigonal pyramids. 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 trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), 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 3-coordinate geometry to one V(2), one V(3), and one V(6) atom. F(1) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(3), and one V(5) atom. is represented by the CIF file [CIF]
data_LiV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.682
_cell_length_b   4.687
_cell_length_c   9.054
_cell_angle_alpha   90.498
_cell_angle_beta   89.812
_cell_angle_gamma   91.943
_symmetry_Int_Tables_number   1
_cell_volume   198.573
_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  0.505  0.013  0.751  1.0
  V  V1  1  0.017  0.987  0.010  1.0
  V  V2  1  0.000  0.001  0.330  1.0
  V  V3  1  0.022  0.972  0.643  1.0
  V  V4  1  0.520  0.481  0.170  1.0
  V  V5  1  0.474  0.522  0.840  1.0
  V  V6  1  0.527  0.476  0.498  1.0
  O  O7  1  0.195  0.803  0.165  1.0
  O  O8  1  0.203  0.791  0.505  1.0
  O  O9  1  0.183  0.820  0.830  1.0
  O  O10  1  0.286  0.298  0.003  1.0
  O  O11  1  0.308  0.310  0.335  1.0
  O  O12  1  0.304  0.300  0.667  1.0
  O  O13  1  0.696  0.713  0.999  1.0
  O  O14  1  0.690  0.696  0.335  1.0
  O  O15  1  0.689  0.712  0.665  1.0
  O  O16  1  0.792  0.208  0.165  1.0
  O  O17  1  0.803  0.204  0.506  1.0
  F  F18  1  0.800  0.208  0.831  1.0
[/CIF]
.
The material structure described by LiV6O11F crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), one O(9), and one F(1) atom. 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, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. 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, and  an edgeedge with one V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(3), one O(6), one O(9), and one F(1) atom. 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,  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 42-53°. 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 VO5F octahedra that share corners with four equivalent V(1)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 44-59°. 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(2)O6 octahedra,  an edgeedge with one V(5)O5F octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 3-coordinate geometry to one V(2), one V(3), and one V(6) atom. In the third O site, O(3) is bonded to one Li(1), one V(1), one V(3), and one V(5) atom to form a mixture of distorted edge and corner-sharing OLiV3 tetrahedra. 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 trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(3), one V(5), and one V(6) atom to form a mixture of distorted edge and corner-sharing OLiV3 trigonal pyramids. 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 trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), 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 3-coordinate geometry to one V(2), one V(3), and one V(6) atom. F(1) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(3), and one V(5) atom. is represented by the CIF file [CIF]
data_LiV6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.682
_cell_length_b   4.687
_cell_length_c   9.054
_cell_angle_alpha   90.498
_cell_angle_beta   89.812
_cell_angle_gamma   91.943
_symmetry_Int_Tables_number   1
_cell_volume   198.573
_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  0.505  0.013  0.751  1.0
  V  V1  1  0.017  0.987  0.010  1.0
  V  V2  1  0.000  0.001  0.330  1.0
  V  V3  1  0.022  0.972  0.643  1.0
  V  V4  1  0.520  0.481  0.170  1.0
  V  V5  1  0.474  0.522  0.840  1.0
  V  V6  1  0.527  0.476  0.498  1.0
  O  O7  1  0.195  0.803  0.165  1.0
  O  O8  1  0.203  0.791  0.505  1.0
  O  O9  1  0.183  0.820  0.830  1.0
  O  O10  1  0.286  0.298  0.003  1.0
  O  O11  1  0.308  0.310  0.335  1.0
  O  O12  1  0.304  0.300  0.667  1.0
  O  O13  1  0.696  0.713  0.999  1.0
  O  O14  1  0.690  0.696  0.335  1.0
  O  O15  1  0.689  0.712  0.665  1.0
  O  O16  1  0.792  0.208  0.165  1.0
  O  O17  1  0.803  0.204  0.506  1.0
  F  F18  1  0.800  0.208  0.831  1.0
[/CIF]
.