The material structure described by LiVF6 crystallizes in the monoclinic C2/m 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 V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 15-22°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 15-22°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.394
_cell_length_c   5.366
_cell_angle_alpha   60.245
_cell_angle_beta   60.245
_cell_angle_gamma   60.887
_symmetry_Int_Tables_number   1
_cell_volume   111.538
_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  0.519  0.519  0.484  1.0
  V  V1  1  0.019  0.019  0.984  1.0
  F  F2  1  0.219  0.750  0.784  1.0
  F  F3  1  0.252  0.252  0.682  1.0
  F  F4  1  0.287  0.818  0.184  1.0
  F  F5  1  0.750  0.219  0.784  1.0
  F  F6  1  0.785  0.785  0.285  1.0
  F  F7  1  0.818  0.287  0.184  1.0
[/CIF]
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The material structure described by LiVF6 crystallizes in the monoclinic C2/m 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 V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 15-22°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with six equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 15-22°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.394
_cell_length_c   5.366
_cell_angle_alpha   60.245
_cell_angle_beta   60.245
_cell_angle_gamma   60.887
_symmetry_Int_Tables_number   1
_cell_volume   111.538
_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  0.519  0.519  0.484  1.0
  V  V1  1  0.019  0.019  0.984  1.0
  F  F2  1  0.219  0.750  0.784  1.0
  F  F3  1  0.252  0.252  0.682  1.0
  F  F4  1  0.287  0.818  0.184  1.0
  F  F5  1  0.750  0.219  0.784  1.0
  F  F6  1  0.785  0.785  0.285  1.0
  F  F7  1  0.818  0.287  0.184  1.0
[/CIF]
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