The structure 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(2), one F(1), one F(4), one F(7), and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(8), and two equivalent F(6) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(3), one F(6), and two equivalent F(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(4), one F(5), and two equivalent F(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent 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 14°. In the second V site, V(2) is bonded to two equivalent O(1), 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 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), and two equivalent V(1) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(2), one Li(4), and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(1) atom. In the fifth F site, F(5) is bonded to one Li(4), two equivalent Li(1), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the sixth F site, F(6) is bonded to one Li(3), two equivalent Li(2), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(1), two equivalent Li(4), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the eighth F site, F(8) is bonded to one Li(2), two equivalent Li(3), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.694
_cell_length_b   10.224
_cell_length_c   5.328
_cell_angle_alpha   90.144
_cell_angle_beta   110.285
_cell_angle_gamma   89.647
_symmetry_Int_Tables_number   1
_cell_volume   188.727
_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  0.858  0.919  0.729  1.0
  Li  Li1  1  0.129  0.420  0.271  1.0
  Li  Li2  1  0.816  0.248  0.635  1.0
  Li  Li3  1  0.178  0.748  0.365  1.0
  V  V4  1  0.177  0.059  0.277  1.0
  V  V5  1  0.898  0.559  0.724  1.0
  O  O6  1  0.338  0.568  0.683  1.0
  O  O7  1  0.658  0.068  0.317  1.0
  F  F8  1  0.950  0.124  0.922  1.0
  F  F9  1  0.024  0.624  0.079  1.0
  F  F10  1  0.944  0.391  0.892  1.0
  F  F11  1  0.056  0.891  0.108  1.0
  F  F12  1  0.297  0.952  0.609  1.0
  F  F13  1  0.688  0.452  0.390  1.0
  F  F14  1  0.765  0.737  0.545  1.0
  F  F15  1  0.223  0.238  0.455  1.0
[/CIF]
.
The structure 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(2), one F(1), one F(4), one F(7), and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(8), and two equivalent F(6) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(3), one F(6), and two equivalent F(8) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(4), one F(5), and two equivalent F(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent 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 14°. In the second V site, V(2) is bonded to two equivalent O(1), 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 14°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), and two equivalent V(1) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(2), one Li(4), and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(1) atom. In the fifth F site, F(5) is bonded to one Li(4), two equivalent Li(1), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the sixth F site, F(6) is bonded to one Li(3), two equivalent Li(2), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(1), two equivalent Li(4), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the eighth F site, F(8) is bonded to one Li(2), two equivalent Li(3), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.694
_cell_length_b   10.224
_cell_length_c   5.328
_cell_angle_alpha   90.144
_cell_angle_beta   110.285
_cell_angle_gamma   89.647
_symmetry_Int_Tables_number   1
_cell_volume   188.727
_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  0.858  0.919  0.729  1.0
  Li  Li1  1  0.129  0.420  0.271  1.0
  Li  Li2  1  0.816  0.248  0.635  1.0
  Li  Li3  1  0.178  0.748  0.365  1.0
  V  V4  1  0.177  0.059  0.277  1.0
  V  V5  1  0.898  0.559  0.724  1.0
  O  O6  1  0.338  0.568  0.683  1.0
  O  O7  1  0.658  0.068  0.317  1.0
  F  F8  1  0.950  0.124  0.922  1.0
  F  F9  1  0.024  0.624  0.079  1.0
  F  F10  1  0.944  0.391  0.892  1.0
  F  F11  1  0.056  0.891  0.108  1.0
  F  F12  1  0.297  0.952  0.609  1.0
  F  F13  1  0.688  0.452  0.390  1.0
  F  F14  1  0.765  0.737  0.545  1.0
  F  F15  1  0.223  0.238  0.455  1.0
[/CIF]
.