The structure described by LiVF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. V(1) is bonded to six equivalent F(1) atoms to form distorted corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 52°. F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.166
_cell_length_b   6.166
_cell_length_c   6.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.478
_cell_formula_units_Z   4
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  0.875  0.875  0.875  1.0
  Li  Li1  1  0.125  0.375  0.625  1.0
  Li  Li2  1  0.625  0.125  0.375  1.0
  Li  Li3  1  0.375  0.625  0.125  1.0
  V  V4  1  0.163  0.163  0.163  1.0
  V  V5  1  0.337  0.837  0.663  1.0
  V  V6  1  0.663  0.337  0.837  1.0
  V  V7  1  0.837  0.663  0.337  1.0
  F  F8  1  0.010  0.726  0.628  1.0
  F  F9  1  0.274  0.128  0.490  1.0
  F  F10  1  0.128  0.490  0.274  1.0
  F  F11  1  0.372  0.510  0.774  1.0
  F  F12  1  0.226  0.872  0.990  1.0
  F  F13  1  0.490  0.274  0.128  1.0
  F  F14  1  0.510  0.774  0.372  1.0
  F  F15  1  0.774  0.372  0.510  1.0
  F  F16  1  0.628  0.010  0.726  1.0
  F  F17  1  0.872  0.990  0.226  1.0
  F  F18  1  0.726  0.628  0.010  1.0
  F  F19  1  0.990  0.226  0.872  1.0
[/CIF]
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The structure described by LiVF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. V(1) is bonded to six equivalent F(1) atoms to form distorted corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 52°. F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.166
_cell_length_b   6.166
_cell_length_c   6.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.478
_cell_formula_units_Z   4
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  0.875  0.875  0.875  1.0
  Li  Li1  1  0.125  0.375  0.625  1.0
  Li  Li2  1  0.625  0.125  0.375  1.0
  Li  Li3  1  0.375  0.625  0.125  1.0
  V  V4  1  0.163  0.163  0.163  1.0
  V  V5  1  0.337  0.837  0.663  1.0
  V  V6  1  0.663  0.337  0.837  1.0
  V  V7  1  0.837  0.663  0.337  1.0
  F  F8  1  0.010  0.726  0.628  1.0
  F  F9  1  0.274  0.128  0.490  1.0
  F  F10  1  0.128  0.490  0.274  1.0
  F  F11  1  0.372  0.510  0.774  1.0
  F  F12  1  0.226  0.872  0.990  1.0
  F  F13  1  0.490  0.274  0.128  1.0
  F  F14  1  0.510  0.774  0.372  1.0
  F  F15  1  0.774  0.372  0.510  1.0
  F  F16  1  0.628  0.010  0.726  1.0
  F  F17  1  0.872  0.990  0.226  1.0
  F  F18  1  0.726  0.628  0.010  1.0
  F  F19  1  0.990  0.226  0.872  1.0
[/CIF]
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