The crystal structure described by Li2V3F8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form edge-sharing VF6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.220
_cell_length_b   6.220
_cell_length_c   6.220
_cell_angle_alpha   60.606
_cell_angle_beta   60.606
_cell_angle_gamma   60.606
_symmetry_Int_Tables_number   1
_cell_volume   172.476
_cell_formula_units_Z   1
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  0.141  0.141  0.141  1.0
  Li  Li1  1  0.859  0.859  0.859  1.0
  V  V2  1  0.500  0.000  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  F  F5  1  0.570  0.097  0.097  1.0
  F  F6  1  0.097  0.097  0.570  1.0
  F  F7  1  0.097  0.570  0.097  1.0
  F  F8  1  0.596  0.596  0.596  1.0
  F  F9  1  0.404  0.404  0.404  1.0
  F  F10  1  0.903  0.430  0.903  1.0
  F  F11  1  0.903  0.903  0.430  1.0
  F  F12  1  0.430  0.903  0.903  1.0
[/CIF]
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The crystal structure described by Li2V3F8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form edge-sharing VF6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.220
_cell_length_b   6.220
_cell_length_c   6.220
_cell_angle_alpha   60.606
_cell_angle_beta   60.606
_cell_angle_gamma   60.606
_symmetry_Int_Tables_number   1
_cell_volume   172.476
_cell_formula_units_Z   1
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  0.141  0.141  0.141  1.0
  Li  Li1  1  0.859  0.859  0.859  1.0
  V  V2  1  0.500  0.000  0.500  1.0
  V  V3  1  0.500  0.500  0.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  F  F5  1  0.570  0.097  0.097  1.0
  F  F6  1  0.097  0.097  0.570  1.0
  F  F7  1  0.097  0.570  0.097  1.0
  F  F8  1  0.596  0.596  0.596  1.0
  F  F9  1  0.404  0.404  0.404  1.0
  F  F10  1  0.903  0.430  0.903  1.0
  F  F11  1  0.903  0.903  0.430  1.0
  F  F12  1  0.430  0.903  0.903  1.0
[/CIF]
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