The structure described by LiV4OF11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(12), one F(5), one F(6), and one F(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(2), one F(8), and two equivalent F(5) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(10), one F(12), one F(6), and one F(8) atom to form VOF5 octahedra that share corners with three equivalent V(4)F6 octahedra and corners with three equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the third V site, V(3) is bonded to one F(11), one F(3), one F(7), one F(9), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 31-33°. In the fourth V site, V(4) is bonded to one F(10), one F(11), one F(12), one F(3), one F(6), and one F(7) atom to form VF6 octahedra that share corners with three equivalent V(3)F6 octahedra and corners with three equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. There are twelve inequivalent F sites. In the first F site, F(8) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(9) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the third F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(12) is bonded in a T-shaped geometry to one Li(1), one V(2), and one V(4) atom. In the sixth F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(1), and one V(2) atom. In the seventh F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the eighth F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the ninth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the tenth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the eleventh F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(4) atom. In the twelfth F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF file [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   5.501
_cell_length_c   17.702
_cell_angle_alpha   78.069
_cell_angle_beta   78.069
_cell_angle_gamma   57.471
_symmetry_Int_Tables_number   1
_cell_volume   438.918
_cell_formula_units_Z   2
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  0.711  0.632  0.633  1.0
  Li  Li1  1  0.368  0.289  0.367  1.0
  V  V2  1  0.758  0.631  0.436  1.0
  V  V3  1  0.115  0.973  0.317  1.0
  V  V4  1  0.873  0.750  0.063  1.0
  V  V5  1  0.250  0.127  0.937  1.0
  V  V6  1  0.369  0.242  0.564  1.0
  V  V7  1  0.027  0.885  0.683  1.0
  V  V8  1  0.492  0.376  0.187  1.0
  V  V9  1  0.624  0.508  0.813  1.0
  O  O10  1  0.051  0.690  0.377  1.0
  O  O11  1  0.310  0.949  0.623  1.0
  F  F12  1  0.519  0.783  0.349  1.0
  F  F13  1  0.468  0.532  0.500  1.0
  F  F14  1  0.541  0.210  0.875  1.0
  F  F15  1  0.482  0.964  0.026  1.0
  F  F16  1  0.946  0.485  0.536  1.0
  F  F17  1  0.777  0.299  0.718  1.0
  F  F18  1  0.217  0.481  0.651  1.0
  F  F19  1  0.710  0.989  0.151  1.0
  F  F20  1  0.011  0.290  0.849  1.0
  F  F21  1  0.993  0.223  0.401  1.0
  F  F22  1  0.960  0.040  0.000  1.0
  F  F23  1  0.281  0.765  0.222  1.0
  F  F24  1  0.235  0.719  0.778  1.0
  F  F25  1  0.036  0.518  0.974  1.0
  F  F26  1  0.515  0.054  0.464  1.0
  F  F27  1  0.264  0.535  0.098  1.0
  F  F28  1  0.465  0.736  0.902  1.0
  F  F29  1  0.777  0.007  0.599  1.0
  F  F30  1  0.719  0.784  0.746  1.0
  F  F31  1  0.216  0.281  0.254  1.0
  F  F32  1  0.790  0.459  0.125  1.0
  F  F33  1  0.701  0.223  0.282  1.0
[/CIF]
.
The structure described by LiV4OF11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(12), one F(5), one F(6), and one F(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(2), one F(8), and two equivalent F(5) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(10), one F(12), one F(6), and one F(8) atom to form VOF5 octahedra that share corners with three equivalent V(4)F6 octahedra and corners with three equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the third V site, V(3) is bonded to one F(11), one F(3), one F(7), one F(9), and two equivalent F(4) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 31-33°. In the fourth V site, V(4) is bonded to one F(10), one F(11), one F(12), one F(3), one F(6), and one F(7) atom to form VF6 octahedra that share corners with three equivalent V(3)F6 octahedra and corners with three equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. There are twelve inequivalent F sites. In the first F site, F(8) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(9) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the third F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(12) is bonded in a T-shaped geometry to one Li(1), one V(2), and one V(4) atom. In the sixth F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(1), and one V(2) atom. In the seventh F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the eighth F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the ninth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the tenth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the eleventh F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(4) atom. In the twelfth F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF file [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   5.501
_cell_length_c   17.702
_cell_angle_alpha   78.069
_cell_angle_beta   78.069
_cell_angle_gamma   57.471
_symmetry_Int_Tables_number   1
_cell_volume   438.918
_cell_formula_units_Z   2
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  0.711  0.632  0.633  1.0
  Li  Li1  1  0.368  0.289  0.367  1.0
  V  V2  1  0.758  0.631  0.436  1.0
  V  V3  1  0.115  0.973  0.317  1.0
  V  V4  1  0.873  0.750  0.063  1.0
  V  V5  1  0.250  0.127  0.937  1.0
  V  V6  1  0.369  0.242  0.564  1.0
  V  V7  1  0.027  0.885  0.683  1.0
  V  V8  1  0.492  0.376  0.187  1.0
  V  V9  1  0.624  0.508  0.813  1.0
  O  O10  1  0.051  0.690  0.377  1.0
  O  O11  1  0.310  0.949  0.623  1.0
  F  F12  1  0.519  0.783  0.349  1.0
  F  F13  1  0.468  0.532  0.500  1.0
  F  F14  1  0.541  0.210  0.875  1.0
  F  F15  1  0.482  0.964  0.026  1.0
  F  F16  1  0.946  0.485  0.536  1.0
  F  F17  1  0.777  0.299  0.718  1.0
  F  F18  1  0.217  0.481  0.651  1.0
  F  F19  1  0.710  0.989  0.151  1.0
  F  F20  1  0.011  0.290  0.849  1.0
  F  F21  1  0.993  0.223  0.401  1.0
  F  F22  1  0.960  0.040  0.000  1.0
  F  F23  1  0.281  0.765  0.222  1.0
  F  F24  1  0.235  0.719  0.778  1.0
  F  F25  1  0.036  0.518  0.974  1.0
  F  F26  1  0.515  0.054  0.464  1.0
  F  F27  1  0.264  0.535  0.098  1.0
  F  F28  1  0.465  0.736  0.902  1.0
  F  F29  1  0.777  0.007  0.599  1.0
  F  F30  1  0.719  0.784  0.746  1.0
  F  F31  1  0.216  0.281  0.254  1.0
  F  F32  1  0.790  0.459  0.125  1.0
  F  F33  1  0.701  0.223  0.282  1.0
[/CIF]
.