The compound described by Li2VOF4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(5), one F(6), and one F(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(4), one F(7), and one F(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(2), one F(2), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(2), one F(3), one F(6), and one F(7) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(4), one F(5), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one V(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(1) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one V(1) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one V(2) atom. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.786
_cell_length_c   7.060
_cell_angle_alpha   71.101
_cell_angle_beta   90.023
_cell_angle_gamma   63.897
_symmetry_Int_Tables_number   1
_cell_volume   174.308
_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  0.641  0.717  0.746  1.0
  Li  Li1  1  0.640  0.717  0.246  1.0
  Li  Li2  1  0.347  0.288  0.758  1.0
  Li  Li3  1  0.364  0.288  0.258  1.0
  V  V4  1  0.016  0.998  0.476  1.0
  V  V5  1  0.984  0.998  0.977  1.0
  O  O6  1  0.853  0.995  0.754  1.0
  O  O7  1  0.149  0.997  0.254  1.0
  F  F8  1  0.406  0.828  0.963  1.0
  F  F9  1  0.764  0.829  0.462  1.0
  F  F10  1  0.334  0.643  0.648  1.0
  F  F11  1  0.977  0.355  0.864  1.0
  F  F12  1  0.021  0.643  0.148  1.0
  F  F13  1  0.666  0.355  0.365  1.0
  F  F14  1  0.236  0.172  0.545  1.0
  F  F15  1  0.591  0.172  0.044  1.0
[/CIF]
.
The compound described by Li2VOF4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(5), one F(6), and one F(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(4), one F(7), and one F(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(2), one F(2), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(2), one F(3), one F(6), and one F(7) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(4), one F(5), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one V(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(1) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one V(1) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), and one V(2) atom. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.095
_cell_length_b   5.786
_cell_length_c   7.060
_cell_angle_alpha   71.101
_cell_angle_beta   90.023
_cell_angle_gamma   63.897
_symmetry_Int_Tables_number   1
_cell_volume   174.308
_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  0.641  0.717  0.746  1.0
  Li  Li1  1  0.640  0.717  0.246  1.0
  Li  Li2  1  0.347  0.288  0.758  1.0
  Li  Li3  1  0.364  0.288  0.258  1.0
  V  V4  1  0.016  0.998  0.476  1.0
  V  V5  1  0.984  0.998  0.977  1.0
  O  O6  1  0.853  0.995  0.754  1.0
  O  O7  1  0.149  0.997  0.254  1.0
  F  F8  1  0.406  0.828  0.963  1.0
  F  F9  1  0.764  0.829  0.462  1.0
  F  F10  1  0.334  0.643  0.648  1.0
  F  F11  1  0.977  0.355  0.864  1.0
  F  F12  1  0.021  0.643  0.148  1.0
  F  F13  1  0.666  0.355  0.365  1.0
  F  F14  1  0.236  0.172  0.545  1.0
  F  F15  1  0.591  0.172  0.044  1.0
[/CIF]
.