The material structure described by Li2VF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share edges with three equivalent V(1)F6 octahedra. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share edges with three equivalent Li(2)F6 octahedra. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.743
_cell_length_b   5.229
_cell_length_c   5.231
_cell_angle_alpha   69.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.252
_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  0.669  0.949  0.121  1.0
  Li  Li1  1  0.339  0.520  0.240  1.0
  Li  Li2  1  0.839  0.480  0.760  1.0
  Li  Li3  1  0.169  0.051  0.879  1.0
  V  V4  1  0.997  0.493  0.244  1.0
  V  V5  1  0.497  0.507  0.756  1.0
  F  F6  1  0.157  0.742  0.252  1.0
  F  F7  1  0.510  0.707  0.370  1.0
  F  F8  1  0.844  0.689  0.345  1.0
  F  F9  1  0.354  0.741  0.832  1.0
  F  F10  1  0.980  0.717  0.876  1.0
  F  F11  1  0.654  0.710  0.831  1.0
  F  F12  1  0.344  0.311  0.655  1.0
  F  F13  1  0.010  0.293  0.630  1.0
  F  F14  1  0.657  0.258  0.748  1.0
  F  F15  1  0.154  0.290  0.169  1.0
  F  F16  1  0.480  0.283  0.124  1.0
  F  F17  1  0.854  0.259  0.168  1.0
[/CIF]
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The material structure described by Li2VF6 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share edges with three equivalent V(1)F6 octahedra. V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share edges with three equivalent Li(2)F6 octahedra. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.743
_cell_length_b   5.229
_cell_length_c   5.231
_cell_angle_alpha   69.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.252
_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  0.669  0.949  0.121  1.0
  Li  Li1  1  0.339  0.520  0.240  1.0
  Li  Li2  1  0.839  0.480  0.760  1.0
  Li  Li3  1  0.169  0.051  0.879  1.0
  V  V4  1  0.997  0.493  0.244  1.0
  V  V5  1  0.497  0.507  0.756  1.0
  F  F6  1  0.157  0.742  0.252  1.0
  F  F7  1  0.510  0.707  0.370  1.0
  F  F8  1  0.844  0.689  0.345  1.0
  F  F9  1  0.354  0.741  0.832  1.0
  F  F10  1  0.980  0.717  0.876  1.0
  F  F11  1  0.654  0.710  0.831  1.0
  F  F12  1  0.344  0.311  0.655  1.0
  F  F13  1  0.010  0.293  0.630  1.0
  F  F14  1  0.657  0.258  0.748  1.0
  F  F15  1  0.154  0.290  0.169  1.0
  F  F16  1  0.480  0.283  0.124  1.0
  F  F17  1  0.854  0.259  0.168  1.0
[/CIF]
.