The structure described by Li2V2F7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(2) and four equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent F(2) and four equivalent F(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. In the second V site, V(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(2), two equivalent Li(1), and one V(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.369
_cell_length_b   7.369
_cell_length_c   7.369
_cell_angle_alpha   122.175
_cell_angle_beta   118.241
_cell_angle_gamma   89.674
_symmetry_Int_Tables_number   1
_cell_volume   281.669
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.250  0.408  0.158  1.0
  F  F9  1  0.081  0.843  0.761  1.0
  F  F10  1  0.584  0.836  0.665  1.0
  F  F11  1  0.084  0.419  0.748  1.0
  F  F12  1  0.671  0.419  0.335  1.0
  F  F13  1  0.171  0.836  0.252  1.0
  F  F14  1  0.581  0.820  0.239  1.0
  F  F15  1  0.419  0.180  0.761  1.0
  F  F16  1  0.829  0.164  0.748  1.0
  F  F17  1  0.329  0.581  0.665  1.0
  F  F18  1  0.916  0.581  0.252  1.0
  F  F19  1  0.416  0.164  0.335  1.0
  F  F20  1  0.919  0.157  0.239  1.0
  F  F21  1  0.750  0.592  0.842  1.0
[/CIF]
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The structure described by Li2V2F7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(2) and four equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent F(2) and four equivalent F(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-50°. In the second V site, V(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Li(2), two equivalent Li(1), and one V(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.369
_cell_length_b   7.369
_cell_length_c   7.369
_cell_angle_alpha   122.175
_cell_angle_beta   118.241
_cell_angle_gamma   89.674
_symmetry_Int_Tables_number   1
_cell_volume   281.669
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.000  0.500  0.000  1.0
  V  V5  1  0.500  0.000  0.500  1.0
  V  V6  1  0.000  0.500  0.500  1.0
  V  V7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.250  0.408  0.158  1.0
  F  F9  1  0.081  0.843  0.761  1.0
  F  F10  1  0.584  0.836  0.665  1.0
  F  F11  1  0.084  0.419  0.748  1.0
  F  F12  1  0.671  0.419  0.335  1.0
  F  F13  1  0.171  0.836  0.252  1.0
  F  F14  1  0.581  0.820  0.239  1.0
  F  F15  1  0.419  0.180  0.761  1.0
  F  F16  1  0.829  0.164  0.748  1.0
  F  F17  1  0.329  0.581  0.665  1.0
  F  F18  1  0.916  0.581  0.252  1.0
  F  F19  1  0.416  0.164  0.335  1.0
  F  F20  1  0.919  0.157  0.239  1.0
  F  F21  1  0.750  0.592  0.842  1.0
[/CIF]
.