The material structure described by LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(2), one F(4), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with five equivalent V(1)F6 octahedra and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. V(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with five equivalent Li(1)F4 tetrahedra and edges with two equivalent V(1)F6 octahedra. There are four 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 trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a water-like geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.312
_cell_length_b   5.290
_cell_length_c   10.538
_cell_angle_alpha   70.289
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.203
_cell_formula_units_Z   4
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  0.609  0.894  0.920  1.0
  Li  Li1  1  0.109  0.106  0.580  1.0
  Li  Li2  1  0.891  0.894  0.420  1.0
  Li  Li3  1  0.391  0.106  0.080  1.0
  V  V4  1  0.147  0.506  0.251  1.0
  V  V5  1  0.647  0.494  0.249  1.0
  V  V6  1  0.353  0.506  0.751  1.0
  V  V7  1  0.853  0.494  0.749  1.0
  F  F8  1  0.375  0.151  0.889  1.0
  F  F9  1  0.890  0.596  0.354  1.0
  F  F10  1  0.408  0.551  0.355  1.0
  F  F11  1  0.830  0.123  0.840  1.0
  F  F12  1  0.330  0.877  0.660  1.0
  F  F13  1  0.908  0.449  0.145  1.0
  F  F14  1  0.390  0.404  0.146  1.0
  F  F15  1  0.875  0.849  0.611  1.0
  F  F16  1  0.125  0.151  0.389  1.0
  F  F17  1  0.610  0.596  0.854  1.0
  F  F18  1  0.092  0.551  0.855  1.0
  F  F19  1  0.670  0.123  0.340  1.0
  F  F20  1  0.170  0.877  0.160  1.0
  F  F21  1  0.592  0.449  0.645  1.0
  F  F22  1  0.110  0.404  0.646  1.0
  F  F23  1  0.625  0.849  0.111  1.0
[/CIF]
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The material structure described by LiVF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(2), one F(4), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with five equivalent V(1)F6 octahedra and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-58°. V(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with five equivalent Li(1)F4 tetrahedra and edges with two equivalent V(1)F6 octahedra. There are four 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 trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a water-like geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.312
_cell_length_b   5.290
_cell_length_c   10.538
_cell_angle_alpha   70.289
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.203
_cell_formula_units_Z   4
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  0.609  0.894  0.920  1.0
  Li  Li1  1  0.109  0.106  0.580  1.0
  Li  Li2  1  0.891  0.894  0.420  1.0
  Li  Li3  1  0.391  0.106  0.080  1.0
  V  V4  1  0.147  0.506  0.251  1.0
  V  V5  1  0.647  0.494  0.249  1.0
  V  V6  1  0.353  0.506  0.751  1.0
  V  V7  1  0.853  0.494  0.749  1.0
  F  F8  1  0.375  0.151  0.889  1.0
  F  F9  1  0.890  0.596  0.354  1.0
  F  F10  1  0.408  0.551  0.355  1.0
  F  F11  1  0.830  0.123  0.840  1.0
  F  F12  1  0.330  0.877  0.660  1.0
  F  F13  1  0.908  0.449  0.145  1.0
  F  F14  1  0.390  0.404  0.146  1.0
  F  F15  1  0.875  0.849  0.611  1.0
  F  F16  1  0.125  0.151  0.389  1.0
  F  F17  1  0.610  0.596  0.854  1.0
  F  F18  1  0.092  0.551  0.855  1.0
  F  F19  1  0.670  0.123  0.340  1.0
  F  F20  1  0.170  0.877  0.160  1.0
  F  F21  1  0.592  0.449  0.645  1.0
  F  F22  1  0.110  0.404  0.646  1.0
  F  F23  1  0.625  0.849  0.111  1.0
[/CIF]
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