The compound described by Li2VF4 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing VF6 octahedra. There are two inequivalent F sites. In the first 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 trigonal pyramids. In the second F site, F(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.131
_cell_length_b   5.032
_cell_length_c   10.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.950
_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  0.500  0.976  0.292  1.0
  Li  Li1  1  0.500  0.524  0.792  1.0
  Li  Li2  1  0.500  0.476  0.208  1.0
  Li  Li3  1  0.500  0.024  0.708  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.000  0.745  0.833  1.0
  F  F7  1  0.000  0.245  0.667  1.0
  F  F8  1  0.500  0.795  0.100  1.0
  F  F9  1  0.500  0.295  0.400  1.0
  F  F10  1  0.500  0.705  0.600  1.0
  F  F11  1  0.500  0.205  0.900  1.0
  F  F12  1  0.000  0.755  0.333  1.0
  F  F13  1  0.000  0.255  0.167  1.0
[/CIF]
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The compound described by Li2VF4 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing VF6 octahedra. There are two inequivalent F sites. In the first 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 trigonal pyramids. In the second F site, F(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.131
_cell_length_b   5.032
_cell_length_c   10.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.950
_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  0.500  0.976  0.292  1.0
  Li  Li1  1  0.500  0.524  0.792  1.0
  Li  Li2  1  0.500  0.476  0.208  1.0
  Li  Li3  1  0.500  0.024  0.708  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.000  0.745  0.833  1.0
  F  F7  1  0.000  0.245  0.667  1.0
  F  F8  1  0.500  0.795  0.100  1.0
  F  F9  1  0.500  0.295  0.400  1.0
  F  F10  1  0.500  0.705  0.600  1.0
  F  F11  1  0.500  0.205  0.900  1.0
  F  F12  1  0.000  0.755  0.333  1.0
  F  F13  1  0.000  0.255  0.167  1.0
[/CIF]
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