The material described by Li2VF4 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, edges with four equivalent Li(1)F6 octahedra, and edges with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 5°. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form VF6 octahedra that share edges with two equivalent V(1)F6 octahedra and edges with eight equivalent Li(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Li(1) and one V(1) atom to form a mixture of corner and edge-sharing FLi4V square pyramids. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.268
_cell_length_c   3.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.724
_symmetry_Int_Tables_number   1
_cell_volume   80.848
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.760  0.240  0.000  1.0
  F  F4  1  0.234  0.234  0.500  1.0
  F  F5  1  0.766  0.766  0.500  1.0
  F  F6  1  0.240  0.760  0.000  1.0
[/CIF]
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The material described by Li2VF4 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, edges with four equivalent Li(1)F6 octahedra, and edges with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 5°. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form VF6 octahedra that share edges with two equivalent V(1)F6 octahedra and edges with eight equivalent Li(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Li(1) and one V(1) atom to form a mixture of corner and edge-sharing FLi4V square pyramids. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.268
_cell_length_b   5.268
_cell_length_c   3.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.724
_symmetry_Int_Tables_number   1
_cell_volume   80.848
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.760  0.240  0.000  1.0
  F  F4  1  0.234  0.234  0.500  1.0
  F  F5  1  0.766  0.766  0.500  1.0
  F  F6  1  0.240  0.760  0.000  1.0
[/CIF]
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