The crystal structure described by LiV2F7 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(4), one F(5), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent V(2)F6 octahedra and corners with three equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form distorted VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with three equivalent Li(1)F4 tetrahedra, and edges with two equivalent V(2)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second V site, V(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(7) atoms to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(2)F6 octahedra, and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one V(1) and two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.434
_cell_length_b   6.926
_cell_length_c   8.525
_cell_angle_alpha   109.367
_cell_angle_beta   103.136
_cell_angle_gamma   86.099
_symmetry_Int_Tables_number   1
_cell_volume   294.760
_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  0.130  0.022  0.743  1.0
  Li  Li1  1  0.870  0.978  0.257  1.0
  V  V2  1  0.707  0.718  0.821  1.0
  V  V3  1  0.182  0.485  0.675  1.0
  V  V4  1  0.818  0.515  0.325  1.0
  V  V5  1  0.293  0.282  0.179  1.0
  F  F6  1  0.334  0.180  0.956  1.0
  F  F7  1  0.065  0.613  0.882  1.0
  F  F8  1  0.545  0.447  0.763  1.0
  F  F9  1  0.084  0.213  0.621  1.0
  F  F10  1  0.331  0.763  0.712  1.0
  F  F11  1  0.833  0.947  0.792  1.0
  F  F12  1  0.808  0.562  0.574  1.0
  F  F13  1  0.192  0.438  0.426  1.0
  F  F14  1  0.167  0.053  0.208  1.0
  F  F15  1  0.669  0.237  0.288  1.0
  F  F16  1  0.916  0.787  0.379  1.0
  F  F17  1  0.455  0.553  0.237  1.0
  F  F18  1  0.935  0.387  0.118  1.0
  F  F19  1  0.666  0.820  0.044  1.0
[/CIF]
.
The crystal structure described by LiV2F7 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(4), one F(5), and one F(6) atom to form LiF4 tetrahedra that share corners with two equivalent V(2)F6 octahedra and corners with three equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form distorted VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with three equivalent Li(1)F4 tetrahedra, and edges with two equivalent V(2)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the second V site, V(2) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(7) atoms to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(2)F6 octahedra, and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one V(1) and two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.434
_cell_length_b   6.926
_cell_length_c   8.525
_cell_angle_alpha   109.367
_cell_angle_beta   103.136
_cell_angle_gamma   86.099
_symmetry_Int_Tables_number   1
_cell_volume   294.760
_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  0.130  0.022  0.743  1.0
  Li  Li1  1  0.870  0.978  0.257  1.0
  V  V2  1  0.707  0.718  0.821  1.0
  V  V3  1  0.182  0.485  0.675  1.0
  V  V4  1  0.818  0.515  0.325  1.0
  V  V5  1  0.293  0.282  0.179  1.0
  F  F6  1  0.334  0.180  0.956  1.0
  F  F7  1  0.065  0.613  0.882  1.0
  F  F8  1  0.545  0.447  0.763  1.0
  F  F9  1  0.084  0.213  0.621  1.0
  F  F10  1  0.331  0.763  0.712  1.0
  F  F11  1  0.833  0.947  0.792  1.0
  F  F12  1  0.808  0.562  0.574  1.0
  F  F13  1  0.192  0.438  0.426  1.0
  F  F14  1  0.167  0.053  0.208  1.0
  F  F15  1  0.669  0.237  0.288  1.0
  F  F16  1  0.916  0.787  0.379  1.0
  F  F17  1  0.455  0.553  0.237  1.0
  F  F18  1  0.935  0.387  0.118  1.0
  F  F19  1  0.666  0.820  0.044  1.0
[/CIF]
.