The crystal structure described by LiVF3 is Calcite structured and crystallizes in the trigonal R3c 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 corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 49°. F(1) 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. is represented by the CIF card [CIF]
data_LiVF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.536
_cell_length_b   5.536
_cell_length_c   5.536
_cell_angle_alpha   55.460
_cell_angle_beta   55.460
_cell_angle_gamma   55.460
_symmetry_Int_Tables_number   1
_cell_volume   107.343
_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  0.800  0.800  0.800  1.0
  Li  Li1  1  0.300  0.300  0.300  1.0
  V  V2  1  0.507  0.507  0.507  1.0
  V  V3  1  0.007  0.007  0.007  1.0
  F  F4  1  0.923  0.596  0.220  1.0
  F  F5  1  0.423  0.720  0.096  1.0
  F  F6  1  0.720  0.096  0.423  1.0
  F  F7  1  0.596  0.220  0.923  1.0
  F  F8  1  0.220  0.923  0.596  1.0
  F  F9  1  0.096  0.423  0.720  1.0
[/CIF]
.
The crystal structure described by LiVF3 is Calcite structured and crystallizes in the trigonal R3c 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 corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 49°. F(1) 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. is represented by the CIF card [CIF]
data_LiVF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.536
_cell_length_b   5.536
_cell_length_c   5.536
_cell_angle_alpha   55.460
_cell_angle_beta   55.460
_cell_angle_gamma   55.460
_symmetry_Int_Tables_number   1
_cell_volume   107.343
_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  0.800  0.800  0.800  1.0
  Li  Li1  1  0.300  0.300  0.300  1.0
  V  V2  1  0.507  0.507  0.507  1.0
  V  V3  1  0.007  0.007  0.007  1.0
  F  F4  1  0.923  0.596  0.220  1.0
  F  F5  1  0.423  0.720  0.096  1.0
  F  F6  1  0.720  0.096  0.423  1.0
  F  F7  1  0.596  0.220  0.923  1.0
  F  F8  1  0.220  0.923  0.596  1.0
  F  F9  1  0.096  0.423  0.720  1.0
[/CIF]
.