The structure described by LiVF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to four equivalent F(1) atoms. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.460
_cell_length_b   6.460
_cell_length_c   5.232
_cell_angle_alpha   78.967
_cell_angle_beta   78.967
_cell_angle_gamma   47.548
_symmetry_Int_Tables_number   1
_cell_volume   157.526
_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  0.904  0.096  0.250  1.0
  Li  Li1  1  0.096  0.904  0.750  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.226  0.962  0.008  1.0
  F  F5  1  0.778  0.625  0.837  1.0
  F  F6  1  0.962  0.226  0.508  1.0
  F  F7  1  0.625  0.778  0.337  1.0
  F  F8  1  0.222  0.375  0.163  1.0
  F  F9  1  0.774  0.038  0.992  1.0
  F  F10  1  0.375  0.222  0.663  1.0
  F  F11  1  0.038  0.774  0.492  1.0
[/CIF]
.
The structure described by LiVF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to four equivalent F(1) atoms. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.460
_cell_length_b   6.460
_cell_length_c   5.232
_cell_angle_alpha   78.967
_cell_angle_beta   78.967
_cell_angle_gamma   47.548
_symmetry_Int_Tables_number   1
_cell_volume   157.526
_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  0.904  0.096  0.250  1.0
  Li  Li1  1  0.096  0.904  0.750  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  F  F4  1  0.226  0.962  0.008  1.0
  F  F5  1  0.778  0.625  0.837  1.0
  F  F6  1  0.962  0.226  0.508  1.0
  F  F7  1  0.625  0.778  0.337  1.0
  F  F8  1  0.222  0.375  0.163  1.0
  F  F9  1  0.774  0.038  0.992  1.0
  F  F10  1  0.375  0.222  0.663  1.0
  F  F11  1  0.038  0.774  0.492  1.0
[/CIF]
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