The compound described by LiV3OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(11), one F(3), one F(7), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one V(3)OF5 octahedra and corners with two equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(3), one F(5), one F(6), and one F(7) atom to form VOF5 octahedra that share corners with two equivalent V(3)OF5 octahedra and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-36°. In the second V site, V(2) is bonded in a 7-coordinate geometry to one O(1), one F(10), one F(2), one F(5), one F(6), one F(8), and one F(9) atom. In the third V site, V(3) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(4) atom to form VOF5 octahedra that share corners with two equivalent V(1)OF5 octahedra and  a cornercorner with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-36°. O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), 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(3) atom. In the second F site, F(2) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.478
_cell_length_b   6.018
_cell_length_c   7.049
_cell_angle_alpha   104.461
_cell_angle_beta   103.602
_cell_angle_gamma   93.253
_symmetry_Int_Tables_number   1
_cell_volume   217.051
_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
  Li  Li0  1  0.187  0.527  0.623  1.0
  V  V1  1  0.593  0.160  0.363  1.0
  V  V2  1  0.317  0.660  0.161  1.0
  V  V3  1  0.975  0.976  0.955  1.0
  O  O4  1  0.305  0.968  0.155  1.0
  F  F5  1  0.831  0.074  0.197  1.0
  F  F6  1  0.965  0.666  0.010  1.0
  F  F7  1  0.871  0.311  0.568  1.0
  F  F8  1  0.658  0.930  0.810  1.0
  F  F9  1  0.549  0.404  0.239  1.0
  F  F10  1  0.613  0.842  0.388  1.0
  F  F11  1  0.396  0.255  0.534  1.0
  F  F12  1  0.416  0.565  0.931  1.0
  F  F13  1  0.178  0.615  0.364  1.0
  F  F14  1  0.095  0.272  0.988  1.0
  F  F15  1  0.096  0.850  0.735  1.0
[/CIF]
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The compound described by LiV3OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(11), one F(3), one F(7), one F(8), and one F(9) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one V(3)OF5 octahedra and corners with two equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(3), one F(5), one F(6), and one F(7) atom to form VOF5 octahedra that share corners with two equivalent V(3)OF5 octahedra and corners with two equivalent Li(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-36°. In the second V site, V(2) is bonded in a 7-coordinate geometry to one O(1), one F(10), one F(2), one F(5), one F(6), one F(8), and one F(9) atom. In the third V site, V(3) is bonded to one O(1), one F(1), one F(10), one F(11), one F(2), and one F(4) atom to form VOF5 octahedra that share corners with two equivalent V(1)OF5 octahedra and  a cornercorner with one Li(1)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 18-36°. O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), 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(3) atom. In the second F site, F(2) is bonded in a water-like geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(1) and one V(2) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.478
_cell_length_b   6.018
_cell_length_c   7.049
_cell_angle_alpha   104.461
_cell_angle_beta   103.602
_cell_angle_gamma   93.253
_symmetry_Int_Tables_number   1
_cell_volume   217.051
_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
  Li  Li0  1  0.187  0.527  0.623  1.0
  V  V1  1  0.593  0.160  0.363  1.0
  V  V2  1  0.317  0.660  0.161  1.0
  V  V3  1  0.975  0.976  0.955  1.0
  O  O4  1  0.305  0.968  0.155  1.0
  F  F5  1  0.831  0.074  0.197  1.0
  F  F6  1  0.965  0.666  0.010  1.0
  F  F7  1  0.871  0.311  0.568  1.0
  F  F8  1  0.658  0.930  0.810  1.0
  F  F9  1  0.549  0.404  0.239  1.0
  F  F10  1  0.613  0.842  0.388  1.0
  F  F11  1  0.396  0.255  0.534  1.0
  F  F12  1  0.416  0.565  0.931  1.0
  F  F13  1  0.178  0.615  0.364  1.0
  F  F14  1  0.095  0.272  0.988  1.0
  F  F15  1  0.096  0.850  0.735  1.0
[/CIF]
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