The material described by LiV3OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(10), one F(2), and one F(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(11), one F(3), and one F(8) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the third V site, V(3) is bonded in a distorted octahedral geometry to one F(10), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Li(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   6.002
_cell_length_c   5.511
_cell_angle_alpha   93.258
_cell_angle_beta   103.238
_cell_angle_gamma   93.057
_symmetry_Int_Tables_number   1
_cell_volume   225.226
_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  0.702  0.946  0.440  1.0
  V  V1  1  0.027  0.013  0.995  1.0
  V  V2  1  0.601  0.339  0.150  1.0
  V  V3  1  0.395  0.631  0.851  1.0
  O  O4  1  0.345  0.158  0.004  1.0
  F  F5  1  0.920  0.028  0.710  1.0
  F  F6  1  0.575  0.183  0.396  1.0
  F  F7  1  0.891  0.238  0.074  1.0
  F  F8  1  0.649  0.483  0.860  1.0
  F  F9  1  0.174  0.442  0.700  1.0
  F  F10  1  0.792  0.545  0.312  1.0
  F  F11  1  0.349  0.522  0.141  1.0
  F  F12  1  0.139  0.777  0.912  1.0
  F  F13  1  0.480  0.755  0.592  1.0
  F  F14  1  0.640  0.844  0.012  1.0
  F  F15  1  0.019  0.956  0.285  1.0
[/CIF]
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The material described by LiV3OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(10), one F(2), and one F(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(11), one F(3), and one F(8) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the third V site, V(3) is bonded in a distorted octahedral geometry to one F(10), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in an L-shaped geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(3) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(1) and one V(3) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one Li(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a single-bond geometry to one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV3OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   6.002
_cell_length_c   5.511
_cell_angle_alpha   93.258
_cell_angle_beta   103.238
_cell_angle_gamma   93.057
_symmetry_Int_Tables_number   1
_cell_volume   225.226
_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  0.702  0.946  0.440  1.0
  V  V1  1  0.027  0.013  0.995  1.0
  V  V2  1  0.601  0.339  0.150  1.0
  V  V3  1  0.395  0.631  0.851  1.0
  O  O4  1  0.345  0.158  0.004  1.0
  F  F5  1  0.920  0.028  0.710  1.0
  F  F6  1  0.575  0.183  0.396  1.0
  F  F7  1  0.891  0.238  0.074  1.0
  F  F8  1  0.649  0.483  0.860  1.0
  F  F9  1  0.174  0.442  0.700  1.0
  F  F10  1  0.792  0.545  0.312  1.0
  F  F11  1  0.349  0.522  0.141  1.0
  F  F12  1  0.139  0.777  0.912  1.0
  F  F13  1  0.480  0.755  0.592  1.0
  F  F14  1  0.640  0.844  0.012  1.0
  F  F15  1  0.019  0.956  0.285  1.0
[/CIF]
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