The crystal 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(11), one F(2), one F(4), one F(7), 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(11), one F(2), one F(4), one F(5), 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(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-43°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(10), one F(2), one F(3), and one F(5) atom to form VOF5 octahedra that share corners with three equivalent V(3)F6 octahedra and corners with three equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the third V site, V(3) is bonded to one F(1), one F(10), one F(3), one F(9), and two equivalent F(6) atoms 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 31-34°. In the fourth V site, V(4) is bonded to one F(11), one F(12), one F(4), one F(8), and two equivalent F(7) atoms to form VF6 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 29-43°. 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(6) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the second F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(4) atoms. In the third F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(4) atom. In the fourth F site, F(9) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the fifth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth F site, F(11) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(4) atom. In the seventh F site, F(12) is bonded in a bent 150 degrees geometry to two equivalent V(4) atoms. In the eighth F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the ninth F site, F(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the tenth F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eleventh F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(4) atom. In the twelfth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   17.522
_cell_angle_alpha   78.425
_cell_angle_beta   78.425
_cell_angle_gamma   55.792
_symmetry_Int_Tables_number   1
_cell_volume   436.652
_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  0.616  0.723  0.146  1.0
  Li  Li1  1  0.277  0.384  0.854  1.0
  V  V2  1  0.908  0.981  0.194  1.0
  V  V3  1  0.479  0.632  0.312  1.0
  V  V4  1  0.114  0.258  0.438  1.0
  V  V5  1  0.742  0.886  0.562  1.0
  V  V6  1  0.627  0.742  0.938  1.0
  V  V7  1  0.019  0.092  0.806  1.0
  V  V8  1  0.368  0.521  0.688  1.0
  V  V9  1  0.258  0.373  0.062  1.0
  O  O10  1  0.282  0.782  0.219  1.0
  O  O11  1  0.218  0.718  0.781  1.0
  F  F12  1  0.185  0.559  0.376  1.0
  F  F13  1  0.312  0.206  0.760  1.0
  F  F14  1  0.794  0.688  0.240  1.0
  F  F15  1  0.526  0.282  0.599  1.0
  F  F16  1  0.718  0.474  0.401  1.0
  F  F17  1  0.232  0.971  0.906  1.0
  F  F18  1  0.779  0.294  0.721  1.0
  F  F19  1  0.706  0.221  0.279  1.0
  F  F20  1  0.953  0.489  0.528  1.0
  F  F21  1  0.483  0.951  0.035  1.0
  F  F22  1  0.674  0.061  0.879  1.0
  F  F23  1  0.037  0.963  0.500  1.0
  F  F24  1  0.280  0.029  0.347  1.0
  F  F25  1  0.971  0.720  0.653  1.0
  F  F26  1  0.029  0.768  0.094  1.0
  F  F27  1  0.805  0.506  0.851  1.0
  F  F28  1  0.511  0.047  0.472  1.0
  F  F29  1  0.049  0.517  0.965  1.0
  F  F30  1  0.441  0.815  0.624  1.0
  F  F31  1  0.939  0.326  0.121  1.0
  F  F32  1  0.558  0.442  0.000  1.0
  F  F33  1  0.494  0.195  0.149  1.0
[/CIF]
.
The crystal 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(11), one F(2), one F(4), one F(7), 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(11), one F(2), one F(4), one F(5), 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(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-43°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(10), one F(2), one F(3), and one F(5) atom to form VOF5 octahedra that share corners with three equivalent V(3)F6 octahedra and corners with three equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the third V site, V(3) is bonded to one F(1), one F(10), one F(3), one F(9), and two equivalent F(6) atoms 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 31-34°. In the fourth V site, V(4) is bonded to one F(11), one F(12), one F(4), one F(8), and two equivalent F(7) atoms to form VF6 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 29-43°. 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(6) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the second F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(4) atoms. In the third F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(4) atom. In the fourth F site, F(9) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the fifth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth F site, F(11) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(4) atom. In the seventh F site, F(12) is bonded in a bent 150 degrees geometry to two equivalent V(4) atoms. In the eighth F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the ninth F site, F(2) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the tenth F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eleventh F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(4) atom. In the twelfth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   17.522
_cell_angle_alpha   78.425
_cell_angle_beta   78.425
_cell_angle_gamma   55.792
_symmetry_Int_Tables_number   1
_cell_volume   436.652
_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  0.616  0.723  0.146  1.0
  Li  Li1  1  0.277  0.384  0.854  1.0
  V  V2  1  0.908  0.981  0.194  1.0
  V  V3  1  0.479  0.632  0.312  1.0
  V  V4  1  0.114  0.258  0.438  1.0
  V  V5  1  0.742  0.886  0.562  1.0
  V  V6  1  0.627  0.742  0.938  1.0
  V  V7  1  0.019  0.092  0.806  1.0
  V  V8  1  0.368  0.521  0.688  1.0
  V  V9  1  0.258  0.373  0.062  1.0
  O  O10  1  0.282  0.782  0.219  1.0
  O  O11  1  0.218  0.718  0.781  1.0
  F  F12  1  0.185  0.559  0.376  1.0
  F  F13  1  0.312  0.206  0.760  1.0
  F  F14  1  0.794  0.688  0.240  1.0
  F  F15  1  0.526  0.282  0.599  1.0
  F  F16  1  0.718  0.474  0.401  1.0
  F  F17  1  0.232  0.971  0.906  1.0
  F  F18  1  0.779  0.294  0.721  1.0
  F  F19  1  0.706  0.221  0.279  1.0
  F  F20  1  0.953  0.489  0.528  1.0
  F  F21  1  0.483  0.951  0.035  1.0
  F  F22  1  0.674  0.061  0.879  1.0
  F  F23  1  0.037  0.963  0.500  1.0
  F  F24  1  0.280  0.029  0.347  1.0
  F  F25  1  0.971  0.720  0.653  1.0
  F  F26  1  0.029  0.768  0.094  1.0
  F  F27  1  0.805  0.506  0.851  1.0
  F  F28  1  0.511  0.047  0.472  1.0
  F  F29  1  0.049  0.517  0.965  1.0
  F  F30  1  0.441  0.815  0.624  1.0
  F  F31  1  0.939  0.326  0.121  1.0
  F  F32  1  0.558  0.442  0.000  1.0
  F  F33  1  0.494  0.195  0.149  1.0
[/CIF]
.