The structure described by LiVF4 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-28°. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form VF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent V(1)F6 octahedra, and  an edgeedge with one Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(1) and 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   5.154
_cell_length_b   5.154
_cell_length_c   6.211
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.644
_symmetry_Int_Tables_number   1
_cell_volume   164.653
_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  0.375  0.625  0.250  1.0
  Li  Li1  1  0.625  0.375  0.750  1.0
  V  V2  1  0.981  0.019  0.250  1.0
  V  V3  1  0.019  0.981  0.750  1.0
  F  F4  1  0.253  0.284  0.250  1.0
  F  F5  1  0.284  0.253  0.750  1.0
  F  F6  1  0.825  0.175  0.520  1.0
  F  F7  1  0.825  0.175  0.980  1.0
  F  F8  1  0.175  0.825  0.480  1.0
  F  F9  1  0.175  0.825  0.020  1.0
  F  F10  1  0.716  0.747  0.250  1.0
  F  F11  1  0.747  0.716  0.750  1.0
[/CIF]
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The structure described by LiVF4 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 12-28°. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form VF6 octahedra that share corners with four equivalent Li(1)F4 tetrahedra, edges with two equivalent V(1)F6 octahedra, and  an edgeedge with one Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Li(1) and 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   5.154
_cell_length_b   5.154
_cell_length_c   6.211
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.644
_symmetry_Int_Tables_number   1
_cell_volume   164.653
_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  0.375  0.625  0.250  1.0
  Li  Li1  1  0.625  0.375  0.750  1.0
  V  V2  1  0.981  0.019  0.250  1.0
  V  V3  1  0.019  0.981  0.750  1.0
  F  F4  1  0.253  0.284  0.250  1.0
  F  F5  1  0.284  0.253  0.750  1.0
  F  F6  1  0.825  0.175  0.520  1.0
  F  F7  1  0.825  0.175  0.980  1.0
  F  F8  1  0.175  0.825  0.480  1.0
  F  F9  1  0.175  0.825  0.020  1.0
  F  F10  1  0.716  0.747  0.250  1.0
  F  F11  1  0.747  0.716  0.750  1.0
[/CIF]
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