The material structure described by LiV4OF11 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(4), one F(6), one F(7), one F(8), and one F(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(2), one F(4), one F(6), and one F(8) atom to form VOF5 octahedra that share corners with three equivalent V(2)F6 octahedra and corners with three equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-40°. In the second V site, V(2) is bonded to one F(1), one F(10), one F(11), one F(2), one F(5), and one F(6) atom to form VF6 octahedra that share corners with three equivalent V(5)F6 octahedra and corners with three equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the third V site, V(3) is bonded to one O(1), one F(3), one F(4), one F(7), one F(8), and one F(9) 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 31-41°. In the fourth V site, V(4) is bonded to two equivalent F(3), two equivalent F(7), and two equivalent F(9) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the fifth V site, V(5) is bonded to two equivalent F(10), two equivalent F(11), and two equivalent F(5) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. is represented by the CIF file [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.499
_cell_length_c   17.417
_cell_angle_alpha   84.038
_cell_angle_beta   81.534
_cell_angle_gamma   61.333
_symmetry_Int_Tables_number   1
_cell_volume   438.713
_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  0.875  0.038  0.680  1.0
  Li  Li1  1  0.125  0.962  0.320  1.0
  V  V2  1  0.733  0.771  0.252  1.0
  V  V3  1  0.126  0.131  0.125  1.0
  V  V4  1  0.619  0.650  0.628  1.0
  V  V5  1  0.381  0.350  0.372  1.0
  V  V6  1  0.000  0.000  0.500  1.0
  V  V7  1  0.874  0.869  0.875  1.0
  V  V8  1  0.267  0.229  0.748  1.0
  V  V9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.445  0.059  0.312  1.0
  O  O11  1  0.555  0.941  0.688  1.0
  F  F12  1  0.516  0.917  0.158  1.0
  F  F13  1  0.037  0.443  0.188  1.0
  F  F14  1  0.782  0.793  0.533  1.0
  F  F15  1  0.977  0.599  0.338  1.0
  F  F16  1  0.484  0.083  0.842  1.0
  F  F17  1  0.023  0.401  0.662  1.0
  F  F18  1  0.218  0.207  0.467  1.0
  F  F19  1  0.713  0.706  0.966  1.0
  F  F20  1  0.976  0.975  0.221  1.0
  F  F21  1  0.963  0.557  0.812  1.0
  F  F22  1  0.283  0.694  0.434  1.0
  F  F23  1  0.024  0.025  0.779  1.0
  F  F24  1  0.501  0.561  0.287  1.0
  F  F25  1  0.203  0.846  0.597  1.0
  F  F26  1  0.287  0.294  0.034  1.0
  F  F27  1  0.264  0.664  0.911  1.0
  F  F28  1  0.797  0.154  0.403  1.0
  F  F29  1  0.499  0.439  0.713  1.0
  F  F30  1  0.207  0.817  0.064  1.0
  F  F31  1  0.717  0.306  0.566  1.0
  F  F32  1  0.793  0.183  0.936  1.0
  F  F33  1  0.736  0.336  0.089  1.0
[/CIF]
.
The material structure described by LiV4OF11 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(4), one F(6), one F(7), one F(8), and one F(9) atom. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(2), one F(4), one F(6), and one F(8) atom to form VOF5 octahedra that share corners with three equivalent V(2)F6 octahedra and corners with three equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-40°. In the second V site, V(2) is bonded to one F(1), one F(10), one F(11), one F(2), one F(5), and one F(6) atom to form VF6 octahedra that share corners with three equivalent V(5)F6 octahedra and corners with three equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the third V site, V(3) is bonded to one O(1), one F(3), one F(4), one F(7), one F(8), and one F(9) 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 31-41°. In the fourth V site, V(4) is bonded to two equivalent F(3), two equivalent F(7), and two equivalent F(9) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the fifth V site, V(5) is bonded to two equivalent F(10), two equivalent F(11), and two equivalent F(5) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. is represented by the CIF file [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.499
_cell_length_c   17.417
_cell_angle_alpha   84.038
_cell_angle_beta   81.534
_cell_angle_gamma   61.333
_symmetry_Int_Tables_number   1
_cell_volume   438.713
_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  0.875  0.038  0.680  1.0
  Li  Li1  1  0.125  0.962  0.320  1.0
  V  V2  1  0.733  0.771  0.252  1.0
  V  V3  1  0.126  0.131  0.125  1.0
  V  V4  1  0.619  0.650  0.628  1.0
  V  V5  1  0.381  0.350  0.372  1.0
  V  V6  1  0.000  0.000  0.500  1.0
  V  V7  1  0.874  0.869  0.875  1.0
  V  V8  1  0.267  0.229  0.748  1.0
  V  V9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.445  0.059  0.312  1.0
  O  O11  1  0.555  0.941  0.688  1.0
  F  F12  1  0.516  0.917  0.158  1.0
  F  F13  1  0.037  0.443  0.188  1.0
  F  F14  1  0.782  0.793  0.533  1.0
  F  F15  1  0.977  0.599  0.338  1.0
  F  F16  1  0.484  0.083  0.842  1.0
  F  F17  1  0.023  0.401  0.662  1.0
  F  F18  1  0.218  0.207  0.467  1.0
  F  F19  1  0.713  0.706  0.966  1.0
  F  F20  1  0.976  0.975  0.221  1.0
  F  F21  1  0.963  0.557  0.812  1.0
  F  F22  1  0.283  0.694  0.434  1.0
  F  F23  1  0.024  0.025  0.779  1.0
  F  F24  1  0.501  0.561  0.287  1.0
  F  F25  1  0.203  0.846  0.597  1.0
  F  F26  1  0.287  0.294  0.034  1.0
  F  F27  1  0.264  0.664  0.911  1.0
  F  F28  1  0.797  0.154  0.403  1.0
  F  F29  1  0.499  0.439  0.713  1.0
  F  F30  1  0.207  0.817  0.064  1.0
  F  F31  1  0.717  0.306  0.566  1.0
  F  F32  1  0.793  0.183  0.936  1.0
  F  F33  1  0.736  0.336  0.089  1.0
[/CIF]
.