The compound described by LiVF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted 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 37°. 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 bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.462
_cell_length_b   6.462
_cell_length_c   5.517
_cell_angle_alpha   88.319
_cell_angle_beta   88.319
_cell_angle_gamma   47.166
_symmetry_Int_Tables_number   1
_cell_volume   168.844
_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  0.060  0.940  0.750  1.0
  Li  Li1  1  0.940  0.060  0.250  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  0.769  0.046  0.978  1.0
  F  F5  1  0.046  0.769  0.478  1.0
  F  F6  1  0.656  0.765  0.696  1.0
  F  F7  1  0.235  0.344  0.804  1.0
  F  F8  1  0.765  0.656  0.196  1.0
  F  F9  1  0.344  0.235  0.304  1.0
  F  F10  1  0.954  0.231  0.522  1.0
  F  F11  1  0.231  0.954  0.022  1.0
[/CIF]
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The compound described by LiVF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted 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 37°. 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 bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.462
_cell_length_b   6.462
_cell_length_c   5.517
_cell_angle_alpha   88.319
_cell_angle_beta   88.319
_cell_angle_gamma   47.166
_symmetry_Int_Tables_number   1
_cell_volume   168.844
_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  0.060  0.940  0.750  1.0
  Li  Li1  1  0.940  0.060  0.250  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  0.769  0.046  0.978  1.0
  F  F5  1  0.046  0.769  0.478  1.0
  F  F6  1  0.656  0.765  0.696  1.0
  F  F7  1  0.235  0.344  0.804  1.0
  F  F8  1  0.765  0.656  0.196  1.0
  F  F9  1  0.344  0.235  0.304  1.0
  F  F10  1  0.954  0.231  0.522  1.0
  F  F11  1  0.231  0.954  0.022  1.0
[/CIF]
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