The structure described by LiVF4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. V(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form edge-sharing VF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form edge-sharing FLi2V2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.115
_cell_length_b   5.172
_cell_length_c   5.188
_cell_angle_alpha   92.274
_cell_angle_beta   103.298
_cell_angle_gamma   90.422
_symmetry_Int_Tables_number   1
_cell_volume   133.457
_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  0.180  0.499  0.742  1.0
  Li  Li1  1  0.820  0.501  0.258  1.0
  V  V2  1  0.696  0.950  0.790  1.0
  V  V3  1  0.304  0.050  0.210  1.0
  F  F4  1  0.332  0.856  0.547  1.0
  F  F5  1  0.989  0.794  0.091  1.0
  F  F6  1  0.489  0.759  0.029  1.0
  F  F7  1  0.830  0.662  0.601  1.0
  F  F8  1  0.170  0.338  0.399  1.0
  F  F9  1  0.511  0.241  0.971  1.0
  F  F10  1  0.011  0.206  0.909  1.0
  F  F11  1  0.668  0.144  0.453  1.0
[/CIF]
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The structure described by LiVF4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. V(1) is bonded to one F(4), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form edge-sharing VF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form edge-sharing FLi2V2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.115
_cell_length_b   5.172
_cell_length_c   5.188
_cell_angle_alpha   92.274
_cell_angle_beta   103.298
_cell_angle_gamma   90.422
_symmetry_Int_Tables_number   1
_cell_volume   133.457
_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  0.180  0.499  0.742  1.0
  Li  Li1  1  0.820  0.501  0.258  1.0
  V  V2  1  0.696  0.950  0.790  1.0
  V  V3  1  0.304  0.050  0.210  1.0
  F  F4  1  0.332  0.856  0.547  1.0
  F  F5  1  0.989  0.794  0.091  1.0
  F  F6  1  0.489  0.759  0.029  1.0
  F  F7  1  0.830  0.662  0.601  1.0
  F  F8  1  0.170  0.338  0.399  1.0
  F  F9  1  0.511  0.241  0.971  1.0
  F  F10  1  0.011  0.206  0.909  1.0
  F  F11  1  0.668  0.144  0.453  1.0
[/CIF]
.