The material described by LiV3OF11 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(13), one F(15), one F(17), one F(21), one F(6), and one F(7) atom to form LiF6 octahedra that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra,  a cornercorner with one V(4)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. In the second Li site, Li(2) is bonded to one F(14), one F(16), one F(18), one F(22), one F(5), and one F(8) atom to form LiF6 octahedra that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra,  a cornercorner with one V(4)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(10), one F(12), one F(14), one F(2), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-40°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one F(10), one F(12), one F(15), one F(18), and one F(3) atom. In the third V site, V(3) is bonded to one O(1), one F(2), one F(20), one F(22), one F(4), and one F(7) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra, and  a cornercorner with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. In the fourth V site, V(4) is bonded to one O(1), one F(1), one F(11), one F(13), one F(5), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-40°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one F(11), one F(16), one F(17), one F(4), and one F(9) atom. In the sixth V site, V(6) is bonded to one O(2), one F(1), one F(19), one F(21), one F(3), and one F(8) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra, and  a cornercorner with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(6) atom. There are twenty-two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(4) and one V(6) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a water-like 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 Li(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(2) and one V(6) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(5) atom. In the tenth F site, F(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one V(4) and one V(5) atom. In the twelfth F site, F(12) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(1) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. In the sixteenth F site, F(16) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one V(5) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one Li(1) and one V(5) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Li(2) and one V(2) atom. In the nineteenth F site, F(19) is bonded in a single-bond geometry to one V(6) atom. In the twentieth F site, F(20) is bonded in a single-bond geometry to one V(3) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one Li(1) and one V(6) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Li(2) and one V(3) atom. is represented by the CIF card [CIF]
data_LiV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   6.299
_cell_length_c   7.508
_cell_angle_alpha   110.148
_cell_angle_beta   108.963
_cell_angle_gamma   90.743
_symmetry_Int_Tables_number   1
_cell_volume   228.774
_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
  F  F0  1  0.769  0.056  0.147  1.0
  F  F1  1  0.963  0.649  0.011  1.0
  F  F2  1  0.926  0.315  0.529  1.0
  F  F3  1  0.614  0.801  0.762  1.0
  F  F4  1  0.506  0.413  0.248  1.0
  F  F5  1  0.653  0.885  0.397  1.0
  F  F6  1  0.461  0.308  0.551  1.0
  F  F7  1  0.418  0.578  0.976  1.0
  F  F8  1  0.203  0.685  0.383  1.0
  F  F9  1  0.001  0.207  0.947  1.0
  F  F10  1  0.083  0.799  0.749  1.0
  Li  Li11  1  0.291  0.573  0.653  1.0
  O  O12  1  0.287  0.986  0.173  1.0
  V  V13  1  0.606  0.187  0.355  1.0
  V  V14  1  0.330  0.701  0.196  1.0
  V  V15  1  0.935  0.930  0.942  1.0
[/CIF]
.
The material described by LiV3OF11 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(13), one F(15), one F(17), one F(21), one F(6), and one F(7) atom to form LiF6 octahedra that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra,  a cornercorner with one V(4)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. In the second Li site, Li(2) is bonded to one F(14), one F(16), one F(18), one F(22), one F(5), and one F(8) atom to form LiF6 octahedra that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra,  a cornercorner with one V(4)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(10), one F(12), one F(14), one F(2), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-40°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one F(10), one F(12), one F(15), one F(18), and one F(3) atom. In the third V site, V(3) is bonded to one O(1), one F(2), one F(20), one F(22), one F(4), and one F(7) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra, and  a cornercorner with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. In the fourth V site, V(4) is bonded to one O(1), one F(1), one F(11), one F(13), one F(5), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  a cornercorner with one V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-40°. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one F(11), one F(16), one F(17), one F(4), and one F(9) atom. In the sixth V site, V(6) is bonded to one O(2), one F(1), one F(19), one F(21), one F(3), and one F(8) atom to form VOF5 octahedra that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Li(2)F6 octahedra,  a cornercorner with one V(1)OF5 octahedra, and  a cornercorner with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 1-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(6) atom. There are twenty-two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(4) and one V(6) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a water-like 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 Li(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(2) and one V(6) atom. In the ninth F site, F(9) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(5) atom. In the tenth F site, F(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one V(4) and one V(5) atom. In the twelfth F site, F(12) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(1) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(2) atom. In the sixteenth F site, F(16) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one V(5) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one Li(1) and one V(5) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Li(2) and one V(2) atom. In the nineteenth F site, F(19) is bonded in a single-bond geometry to one V(6) atom. In the twentieth F site, F(20) is bonded in a single-bond geometry to one V(3) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one Li(1) and one V(6) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Li(2) and one V(3) atom. is represented by the CIF card [CIF]
data_LiV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.503
_cell_length_b   6.299
_cell_length_c   7.508
_cell_angle_alpha   110.148
_cell_angle_beta   108.963
_cell_angle_gamma   90.743
_symmetry_Int_Tables_number   1
_cell_volume   228.774
_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
  F  F0  1  0.769  0.056  0.147  1.0
  F  F1  1  0.963  0.649  0.011  1.0
  F  F2  1  0.926  0.315  0.529  1.0
  F  F3  1  0.614  0.801  0.762  1.0
  F  F4  1  0.506  0.413  0.248  1.0
  F  F5  1  0.653  0.885  0.397  1.0
  F  F6  1  0.461  0.308  0.551  1.0
  F  F7  1  0.418  0.578  0.976  1.0
  F  F8  1  0.203  0.685  0.383  1.0
  F  F9  1  0.001  0.207  0.947  1.0
  F  F10  1  0.083  0.799  0.749  1.0
  Li  Li11  1  0.291  0.573  0.653  1.0
  O  O12  1  0.287  0.986  0.173  1.0
  V  V13  1  0.606  0.187  0.355  1.0
  V  V14  1  0.330  0.701  0.196  1.0
  V  V15  1  0.935  0.930  0.942  1.0
[/CIF]
.