The material described by Li3V4(OF3)3 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(2), one F(3), and one F(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one F(1), one F(3), one F(4), and one F(7) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(1), one F(2), one F(4), one F(5), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a distorted linear geometry to one O(2), one F(2), one F(3), one F(5), and one F(8) atom. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one F(2), one F(5), and one F(9) atom. In the third V site, V(3) is bonded in a 3-coordinate geometry to one O(1), one O(3), one F(4), and one F(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(1), one F(3), one F(4), and one F(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Li(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(3), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Li(1) atom. In the seventh F site, F(7) is bonded in a 1-coordinate geometry to one Li(2) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_Li3V4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   5.565
_cell_length_c   9.040
_cell_angle_alpha   107.077
_cell_angle_beta   89.926
_cell_angle_gamma   117.329
_symmetry_Int_Tables_number   1
_cell_volume   217.710
_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  0.644  0.391  0.883  1.0
  Li  Li1  1  0.801  0.019  0.594  1.0
  Li  Li2  1  0.066  0.742  0.356  1.0
  V  V3  1  0.981  0.010  0.005  1.0
  V  V4  1  0.751  0.245  0.246  1.0
  V  V5  1  0.530  0.480  0.503  1.0
  V  V6  1  0.219  0.737  0.748  1.0
  O  O7  1  0.810  0.578  0.688  1.0
  O  O8  1  0.810  0.186  0.065  1.0
  O  O9  1  0.703  0.316  0.432  1.0
  F  F10  1  0.788  0.881  0.384  1.0
  F  F11  1  0.747  0.620  0.125  1.0
  F  F12  1  0.678  0.943  0.804  1.0
  F  F13  1  0.332  0.707  0.556  1.0
  F  F14  1  0.295  0.038  0.195  1.0
  F  F15  1  0.263  0.384  0.874  1.0
  F  F16  1  0.240  0.119  0.631  1.0
  F  F17  1  0.165  0.823  0.934  1.0
  F  F18  1  0.194  0.463  0.321  1.0
[/CIF]
.
The material described by Li3V4(OF3)3 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(2), one F(3), and one F(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one F(1), one F(3), one F(4), and one F(7) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one F(1), one F(2), one F(4), one F(5), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a distorted linear geometry to one O(2), one F(2), one F(3), one F(5), and one F(8) atom. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one F(2), one F(5), and one F(9) atom. In the third V site, V(3) is bonded in a 3-coordinate geometry to one O(1), one O(3), one F(4), and one F(9) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(1), one F(3), one F(4), and one F(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Li(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one V(1), and one V(4) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(3), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Li(1) atom. In the seventh F site, F(7) is bonded in a 1-coordinate geometry to one Li(2) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(3) atom. is represented by the CIF file [CIF]
data_Li3V4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   5.565
_cell_length_c   9.040
_cell_angle_alpha   107.077
_cell_angle_beta   89.926
_cell_angle_gamma   117.329
_symmetry_Int_Tables_number   1
_cell_volume   217.710
_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  0.644  0.391  0.883  1.0
  Li  Li1  1  0.801  0.019  0.594  1.0
  Li  Li2  1  0.066  0.742  0.356  1.0
  V  V3  1  0.981  0.010  0.005  1.0
  V  V4  1  0.751  0.245  0.246  1.0
  V  V5  1  0.530  0.480  0.503  1.0
  V  V6  1  0.219  0.737  0.748  1.0
  O  O7  1  0.810  0.578  0.688  1.0
  O  O8  1  0.810  0.186  0.065  1.0
  O  O9  1  0.703  0.316  0.432  1.0
  F  F10  1  0.788  0.881  0.384  1.0
  F  F11  1  0.747  0.620  0.125  1.0
  F  F12  1  0.678  0.943  0.804  1.0
  F  F13  1  0.332  0.707  0.556  1.0
  F  F14  1  0.295  0.038  0.195  1.0
  F  F15  1  0.263  0.384  0.874  1.0
  F  F16  1  0.240  0.119  0.631  1.0
  F  F17  1  0.165  0.823  0.934  1.0
  F  F18  1  0.194  0.463  0.321  1.0
[/CIF]
.