The compound described by Li2V2F7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(2) atoms to form distorted LiF5 trigonal bipyramids that share corners with four equivalent V(1)F7 hexagonal pyramids, edges with three equivalent V(1)F7 hexagonal pyramids, and edges with two equivalent Li(1)F5 trigonal bipyramids. V(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted VF7 hexagonal pyramids that share  a cornercorner with one V(1)F7 hexagonal pyramid, corners with four equivalent Li(1)F5 trigonal bipyramids, edges with three equivalent V(1)F7 hexagonal pyramids, and edges with three equivalent Li(1)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.074
_cell_length_b   5.074
_cell_length_c   10.447
_cell_angle_alpha   82.091
_cell_angle_beta   82.091
_cell_angle_gamma   82.751
_symmetry_Int_Tables_number   1
_cell_volume   262.270
_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  0.259  0.650  0.481  1.0
  Li  Li1  1  0.350  0.741  0.019  1.0
  Li  Li2  1  0.650  0.259  0.981  1.0
  Li  Li3  1  0.741  0.350  0.519  1.0
  V  V4  1  0.740  0.731  0.251  1.0
  V  V5  1  0.269  0.260  0.249  1.0
  V  V6  1  0.731  0.740  0.751  1.0
  V  V7  1  0.260  0.269  0.749  1.0
  F  F8  1  0.518  0.437  0.369  1.0
  F  F9  1  0.502  0.995  0.125  1.0
  F  F10  1  0.563  0.482  0.131  1.0
  F  F11  1  0.426  0.940  0.371  1.0
  F  F12  1  0.041  0.959  0.750  1.0
  F  F13  1  0.940  0.426  0.871  1.0
  F  F14  1  0.005  0.498  0.375  1.0
  F  F15  1  0.995  0.502  0.625  1.0
  F  F16  1  0.060  0.574  0.129  1.0
  F  F17  1  0.959  0.041  0.250  1.0
  F  F18  1  0.574  0.060  0.629  1.0
  F  F19  1  0.437  0.518  0.869  1.0
  F  F20  1  0.498  0.005  0.875  1.0
  F  F21  1  0.482  0.563  0.631  1.0
[/CIF]
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The compound described by Li2V2F7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(3), two equivalent F(1), and two equivalent F(2) atoms to form distorted LiF5 trigonal bipyramids that share corners with four equivalent V(1)F7 hexagonal pyramids, edges with three equivalent V(1)F7 hexagonal pyramids, and edges with two equivalent Li(1)F5 trigonal bipyramids. V(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted VF7 hexagonal pyramids that share  a cornercorner with one V(1)F7 hexagonal pyramid, corners with four equivalent Li(1)F5 trigonal bipyramids, edges with three equivalent V(1)F7 hexagonal pyramids, and edges with three equivalent Li(1)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.074
_cell_length_b   5.074
_cell_length_c   10.447
_cell_angle_alpha   82.091
_cell_angle_beta   82.091
_cell_angle_gamma   82.751
_symmetry_Int_Tables_number   1
_cell_volume   262.270
_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  0.259  0.650  0.481  1.0
  Li  Li1  1  0.350  0.741  0.019  1.0
  Li  Li2  1  0.650  0.259  0.981  1.0
  Li  Li3  1  0.741  0.350  0.519  1.0
  V  V4  1  0.740  0.731  0.251  1.0
  V  V5  1  0.269  0.260  0.249  1.0
  V  V6  1  0.731  0.740  0.751  1.0
  V  V7  1  0.260  0.269  0.749  1.0
  F  F8  1  0.518  0.437  0.369  1.0
  F  F9  1  0.502  0.995  0.125  1.0
  F  F10  1  0.563  0.482  0.131  1.0
  F  F11  1  0.426  0.940  0.371  1.0
  F  F12  1  0.041  0.959  0.750  1.0
  F  F13  1  0.940  0.426  0.871  1.0
  F  F14  1  0.005  0.498  0.375  1.0
  F  F15  1  0.995  0.502  0.625  1.0
  F  F16  1  0.060  0.574  0.129  1.0
  F  F17  1  0.959  0.041  0.250  1.0
  F  F18  1  0.574  0.060  0.629  1.0
  F  F19  1  0.437  0.518  0.869  1.0
  F  F20  1  0.498  0.005  0.875  1.0
  F  F21  1  0.482  0.563  0.631  1.0
[/CIF]
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