The structure described by LiVF4 crystallizes in the tetragonal I4_1/a space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. In the second Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. In the third Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. In the fourth Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the second V site, V(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the third V site, V(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded in a 3-coordinate geometry to one Li(1) and two V(1,1) atoms. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.098
_cell_length_b   6.098
_cell_length_c   6.098
_cell_angle_alpha   131.911
_cell_angle_beta   131.911
_cell_angle_gamma   70.369
_symmetry_Int_Tables_number   1
_cell_volume   123.052
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.250  0.750  0.500  1.0
  F  F4  1  0.120  0.137  0.565  1.0
  F  F5  1  0.573  0.556  0.435  1.0
  F  F6  1  0.863  0.427  0.983  1.0
  F  F7  1  0.306  0.370  0.483  1.0
  F  F8  1  0.887  0.823  0.517  1.0
  F  F9  1  0.444  0.880  0.017  1.0
  F  F10  1  0.177  0.694  0.065  1.0
  F  F11  1  0.630  0.113  0.935  1.0
[/CIF]
.
The structure described by LiVF4 crystallizes in the tetragonal I4_1/a space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. In the second Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. In the third Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. In the fourth Li site, Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the second V site, V(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. In the third V site, V(1) is bonded in a distorted body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded in a 3-coordinate geometry to one Li(1) and two V(1,1) atoms. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.098
_cell_length_b   6.098
_cell_length_c   6.098
_cell_angle_alpha   131.911
_cell_angle_beta   131.911
_cell_angle_gamma   70.369
_symmetry_Int_Tables_number   1
_cell_volume   123.052
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.250  0.750  0.500  1.0
  F  F4  1  0.120  0.137  0.565  1.0
  F  F5  1  0.573  0.556  0.435  1.0
  F  F6  1  0.863  0.427  0.983  1.0
  F  F7  1  0.306  0.370  0.483  1.0
  F  F8  1  0.887  0.823  0.517  1.0
  F  F9  1  0.444  0.880  0.017  1.0
  F  F10  1  0.177  0.694  0.065  1.0
  F  F11  1  0.630  0.113  0.935  1.0
[/CIF]
.