The structure described by LiV2F6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with eight equivalent V(1)F6 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent V(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_LiV2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.656
_cell_length_b   4.655
_cell_length_c   9.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.694
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.000  1.000  0.667  1.0
  V  V3  1  0.500  0.500  0.167  1.0
  V  V4  1  0.500  0.500  0.833  1.0
  V  V5  1  1.000  0.000  0.333  1.0
  F  F6  1  0.698  0.698  0.668  1.0
  F  F7  1  0.302  0.302  0.668  1.0
  F  F8  1  0.304  0.304  0.000  1.0
  F  F9  1  0.196  0.804  0.500  1.0
  F  F10  1  0.804  0.196  0.500  1.0
  F  F11  1  0.696  0.696  0.000  1.0
  F  F12  1  0.302  0.302  0.332  1.0
  F  F13  1  0.198  0.802  0.832  1.0
  F  F14  1  0.802  0.198  0.832  1.0
  F  F15  1  0.802  0.198  0.168  1.0
  F  F16  1  0.198  0.802  0.168  1.0
  F  F17  1  0.698  0.698  0.332  1.0
[/CIF]
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The structure described by LiV2F6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with eight equivalent V(1)F6 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent V(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_LiV2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.656
_cell_length_b   4.655
_cell_length_c   9.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.694
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.000  1.000  0.667  1.0
  V  V3  1  0.500  0.500  0.167  1.0
  V  V4  1  0.500  0.500  0.833  1.0
  V  V5  1  1.000  0.000  0.333  1.0
  F  F6  1  0.698  0.698  0.668  1.0
  F  F7  1  0.302  0.302  0.668  1.0
  F  F8  1  0.304  0.304  0.000  1.0
  F  F9  1  0.196  0.804  0.500  1.0
  F  F10  1  0.804  0.196  0.500  1.0
  F  F11  1  0.696  0.696  0.000  1.0
  F  F12  1  0.302  0.302  0.332  1.0
  F  F13  1  0.198  0.802  0.832  1.0
  F  F14  1  0.802  0.198  0.832  1.0
  F  F15  1  0.802  0.198  0.168  1.0
  F  F16  1  0.198  0.802  0.168  1.0
  F  F17  1  0.698  0.698  0.332  1.0
[/CIF]
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