The crystal structure described by LiVF3 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form corner-sharing LiF4 tetrahedra. V(1) is bonded in a 7-coordinate geometry to one F(2) and six equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   3.270
_cell_length_c   6.704
_cell_angle_alpha   75.841
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.440
_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  0.250  0.928  0.128  1.0
  Li  Li1  1  0.750  0.072  0.872  1.0
  V  V2  1  0.250  0.665  0.667  1.0
  V  V3  1  0.750  0.335  0.333  1.0
  F  F4  1  0.997  0.837  0.329  1.0
  F  F5  1  0.503  0.837  0.329  1.0
  F  F6  1  0.250  0.500  0.985  1.0
  F  F7  1  0.750  0.500  0.015  1.0
  F  F8  1  0.497  0.163  0.671  1.0
  F  F9  1  0.003  0.163  0.671  1.0
[/CIF]
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The crystal structure described by LiVF3 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form corner-sharing LiF4 tetrahedra. V(1) is bonded in a 7-coordinate geometry to one F(2) and six equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent V(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   3.270
_cell_length_c   6.704
_cell_angle_alpha   75.841
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.440
_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  0.250  0.928  0.128  1.0
  Li  Li1  1  0.750  0.072  0.872  1.0
  V  V2  1  0.250  0.665  0.667  1.0
  V  V3  1  0.750  0.335  0.333  1.0
  F  F4  1  0.997  0.837  0.329  1.0
  F  F5  1  0.503  0.837  0.329  1.0
  F  F6  1  0.250  0.500  0.985  1.0
  F  F7  1  0.750  0.500  0.015  1.0
  F  F8  1  0.497  0.163  0.671  1.0
  F  F9  1  0.003  0.163  0.671  1.0
[/CIF]
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