The material described by LiV4OF11 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one F(1), one F(10), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one F(11), and one F(22) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one F(16), one F(19), one F(2), one F(21), one F(3), and one F(7) atom to form VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(7)OF5 octahedra, corners with two equivalent V(6)F6 octahedra, and corners with two 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(10), one F(13), one F(5), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(5)F6 octahedra, and corners with two equivalent V(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. In the third V site, V(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(8)OF5 octahedra, corners with two equivalent V(1)F6 octahedra, and corners with two equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-40°. In the fourth V site, V(4) is bonded to one O(1), one F(10), one F(12), one F(15), one F(17), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(7)OF5 octahedra, corners with two equivalent V(6)F6 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the fifth V site, V(5) is bonded to one F(11), one F(13), one F(14), one F(20), one F(4), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one V(6)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(2)F6 octahedra, and corners with two equivalent V(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. In the sixth V site, V(6) is bonded to one F(15), one F(17), one F(19), one F(20), one F(21), and one F(22) atom to form VF6 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(8)OF5 octahedra, corners with two equivalent V(1)F6 octahedra, and corners with two equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the seventh V site, V(7) is bonded to one O(2), one F(11), one F(12), one F(14), one F(16), and one F(18) atom to form VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(5)F6 octahedra, and corners with two equivalent V(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the eighth V site, V(8) is bonded to one O(2), one F(1), one F(18), one F(22), one F(5), and one F(8) atom to form VOF5 octahedra that share  a cornercorner with one V(6)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(2)F6 octahedra, and corners with two equivalent V(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(7), and one V(8) atom. There are twenty-two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(3), and one V(8) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(2), one V(5), and one V(7) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(4) and one V(7) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(5) and one V(7) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal planar geometry to one Li(2), one V(6), and one V(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   9.276
_cell_length_c   9.286
_cell_angle_alpha   68.794
_cell_angle_beta   87.424
_cell_angle_gamma   86.441
_symmetry_Int_Tables_number   1
_cell_volume   439.750
_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  0.450  0.866  0.873  1.0
  Li  Li1  1  0.036  0.885  0.391  1.0
  V  V2  1  0.495  0.498  0.001  1.0
  V  V3  1  0.502  0.250  0.753  1.0
  V  V4  1  0.985  0.755  0.739  1.0
  V  V5  1  0.523  0.995  0.502  1.0
  V  V6  1  0.994  0.499  0.501  1.0
  V  V7  1  0.002  0.252  0.252  1.0
  V  V8  1  0.491  0.756  0.238  1.0
  V  V9  1  0.019  0.994  0.005  1.0
  O  O10  1  0.811  0.876  0.566  1.0
  O  O11  1  0.306  0.875  0.068  1.0
  F  F12  1  0.017  0.925  0.820  1.0
  F  F13  1  0.200  0.631  0.923  1.0
  F  F14  1  0.675  0.692  0.877  1.0
  F  F15  1  0.996  0.568  0.679  1.0
  F  F16  1  0.202  0.181  0.875  1.0
  F  F17  1  0.305  0.825  0.619  1.0
  F  F18  1  0.502  0.431  0.824  1.0
  F  F19  1  0.703  0.123  0.926  1.0
  F  F20  1  0.299  0.375  0.576  1.0
  F  F21  1  0.498  0.058  0.695  1.0
  F  F22  1  0.184  0.690  0.379  1.0
  F  F23  1  0.490  0.927  0.320  1.0
  F  F24  1  0.795  0.319  0.625  1.0
  F  F25  1  0.698  0.626  0.424  1.0
  F  F26  1  0.198  0.119  0.427  1.0
  F  F27  1  0.497  0.567  0.176  1.0
  F  F28  1  0.700  0.183  0.374  1.0
  F  F29  1  0.804  0.822  0.123  1.0
  F  F30  1  0.298  0.318  0.126  1.0
  F  F31  1  0.006  0.431  0.324  1.0
  F  F32  1  0.802  0.375  0.074  1.0
  F  F33  1  0.997  0.060  0.196  1.0
[/CIF]
.
The material described by LiV4OF11 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one F(1), one F(10), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one F(11), and one F(22) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one F(16), one F(19), one F(2), one F(21), one F(3), and one F(7) atom to form VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(7)OF5 octahedra, corners with two equivalent V(6)F6 octahedra, and corners with two 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(10), one F(13), one F(5), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(5)F6 octahedra, and corners with two equivalent V(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. In the third V site, V(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(8)OF5 octahedra, corners with two equivalent V(1)F6 octahedra, and corners with two equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-40°. In the fourth V site, V(4) is bonded to one O(1), one F(10), one F(12), one F(15), one F(17), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(2)F6 octahedra,  a cornercorner with one V(7)OF5 octahedra, corners with two equivalent V(6)F6 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the fifth V site, V(5) is bonded to one F(11), one F(13), one F(14), one F(20), one F(4), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one V(6)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(2)F6 octahedra, and corners with two equivalent V(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. In the sixth V site, V(6) is bonded to one F(15), one F(17), one F(19), one F(20), one F(21), and one F(22) atom to form VF6 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(8)OF5 octahedra, corners with two equivalent V(1)F6 octahedra, and corners with two equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the seventh V site, V(7) is bonded to one O(2), one F(11), one F(12), one F(14), one F(16), and one F(18) atom to form VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(5)F6 octahedra, and corners with two equivalent V(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the eighth V site, V(8) is bonded to one O(2), one F(1), one F(18), one F(22), one F(5), and one F(8) atom to form VOF5 octahedra that share  a cornercorner with one V(6)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(2)F6 octahedra, and corners with two equivalent V(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(7), and one V(8) atom. There are twenty-two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(3), and one V(8) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(2), one V(5), and one V(7) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(4) and one V(7) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(5) and one V(7) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the twenty-second F site, F(22) is bonded in a distorted trigonal planar geometry to one Li(2), one V(6), and one V(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV4OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   9.276
_cell_length_c   9.286
_cell_angle_alpha   68.794
_cell_angle_beta   87.424
_cell_angle_gamma   86.441
_symmetry_Int_Tables_number   1
_cell_volume   439.750
_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  0.450  0.866  0.873  1.0
  Li  Li1  1  0.036  0.885  0.391  1.0
  V  V2  1  0.495  0.498  0.001  1.0
  V  V3  1  0.502  0.250  0.753  1.0
  V  V4  1  0.985  0.755  0.739  1.0
  V  V5  1  0.523  0.995  0.502  1.0
  V  V6  1  0.994  0.499  0.501  1.0
  V  V7  1  0.002  0.252  0.252  1.0
  V  V8  1  0.491  0.756  0.238  1.0
  V  V9  1  0.019  0.994  0.005  1.0
  O  O10  1  0.811  0.876  0.566  1.0
  O  O11  1  0.306  0.875  0.068  1.0
  F  F12  1  0.017  0.925  0.820  1.0
  F  F13  1  0.200  0.631  0.923  1.0
  F  F14  1  0.675  0.692  0.877  1.0
  F  F15  1  0.996  0.568  0.679  1.0
  F  F16  1  0.202  0.181  0.875  1.0
  F  F17  1  0.305  0.825  0.619  1.0
  F  F18  1  0.502  0.431  0.824  1.0
  F  F19  1  0.703  0.123  0.926  1.0
  F  F20  1  0.299  0.375  0.576  1.0
  F  F21  1  0.498  0.058  0.695  1.0
  F  F22  1  0.184  0.690  0.379  1.0
  F  F23  1  0.490  0.927  0.320  1.0
  F  F24  1  0.795  0.319  0.625  1.0
  F  F25  1  0.698  0.626  0.424  1.0
  F  F26  1  0.198  0.119  0.427  1.0
  F  F27  1  0.497  0.567  0.176  1.0
  F  F28  1  0.700  0.183  0.374  1.0
  F  F29  1  0.804  0.822  0.123  1.0
  F  F30  1  0.298  0.318  0.126  1.0
  F  F31  1  0.006  0.431  0.324  1.0
  F  F32  1  0.802  0.375  0.074  1.0
  F  F33  1  0.997  0.060  0.196  1.0
[/CIF]
.