The compound described by LiV2O2F3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one F(1), one F(2), and one F(6) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(5), and one F(6) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(5), and two equivalent F(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one F(2), one F(6), and two equivalent F(3) atoms. In the fourth V site, V(4) is bonded in a 1-coordinate geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(1) and one V(3) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to two equivalent V(3) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Li(2) and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(3) atom. is represented by the CIF file [CIF]
data_LiV2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.959
_cell_length_b   5.367
_cell_length_c   10.147
_cell_angle_alpha   90.140
_cell_angle_beta   90.000
_cell_angle_gamma   111.642
_symmetry_Int_Tables_number   1
_cell_volume   200.415
_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  0.865  0.263  0.054  1.0
  Li  Li1  1  0.128  0.737  0.946  1.0
  V  V2  1  0.862  0.276  0.446  1.0
  V  V3  1  0.810  0.378  0.744  1.0
  V  V4  1  0.188  0.622  0.256  1.0
  V  V5  1  0.138  0.724  0.554  1.0
  O  O6  1  0.958  0.084  0.620  1.0
  O  O7  1  0.306  0.388  0.422  1.0
  O  O8  1  0.694  0.612  0.578  1.0
  O  O9  1  0.041  0.916  0.380  1.0
  F  F10  1  0.950  0.098  0.880  1.0
  F  F11  1  0.308  0.384  0.096  1.0
  F  F12  1  0.737  0.525  0.261  1.0
  F  F13  1  0.263  0.473  0.740  1.0
  F  F14  1  0.691  0.616  0.904  1.0
  F  F15  1  0.049  0.902  0.120  1.0
[/CIF]
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The compound described by LiV2O2F3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one F(1), one F(2), and one F(6) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(5), and one F(6) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(5), and two equivalent F(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one F(2), one F(6), and two equivalent F(3) atoms. In the fourth V site, V(4) is bonded in a 1-coordinate geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Li(1) and one V(3) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to two equivalent V(3) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Li(2) and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(3) atom. is represented by the CIF file [CIF]
data_LiV2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.959
_cell_length_b   5.367
_cell_length_c   10.147
_cell_angle_alpha   90.140
_cell_angle_beta   90.000
_cell_angle_gamma   111.642
_symmetry_Int_Tables_number   1
_cell_volume   200.415
_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  0.865  0.263  0.054  1.0
  Li  Li1  1  0.128  0.737  0.946  1.0
  V  V2  1  0.862  0.276  0.446  1.0
  V  V3  1  0.810  0.378  0.744  1.0
  V  V4  1  0.188  0.622  0.256  1.0
  V  V5  1  0.138  0.724  0.554  1.0
  O  O6  1  0.958  0.084  0.620  1.0
  O  O7  1  0.306  0.388  0.422  1.0
  O  O8  1  0.694  0.612  0.578  1.0
  O  O9  1  0.041  0.916  0.380  1.0
  F  F10  1  0.950  0.098  0.880  1.0
  F  F11  1  0.308  0.384  0.096  1.0
  F  F12  1  0.737  0.525  0.261  1.0
  F  F13  1  0.263  0.473  0.740  1.0
  F  F14  1  0.691  0.616  0.904  1.0
  F  F15  1  0.049  0.902  0.120  1.0
[/CIF]
.