The material structure described by LiVF4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent F(3) and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent F(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the second V site, V(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.976
_cell_length_b   11.175
_cell_length_c   15.462
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.960
_cell_formula_units_Z   8
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  0.515  0.500  0.146  1.0
  Li  Li1  1  0.000  0.750  0.250  1.0
  Li  Li2  1  0.000  0.250  0.250  1.0
  Li  Li3  1  0.485  0.000  0.354  1.0
  Li  Li4  1  0.485  0.000  0.646  1.0
  Li  Li5  1  0.000  0.250  0.750  1.0
  Li  Li6  1  0.000  0.750  0.750  1.0
  Li  Li7  1  0.515  0.500  0.854  1.0
  V  V8  1  0.783  0.267  0.000  1.0
  V  V9  1  0.783  0.733  0.000  1.0
  V  V10  1  0.739  0.000  0.168  1.0
  V  V11  1  0.261  0.500  0.332  1.0
  V  V12  1  0.217  0.767  0.500  1.0
  V  V13  1  0.217  0.233  0.500  1.0
  V  V14  1  0.261  0.500  0.668  1.0
  V  V15  1  0.739  0.000  0.832  1.0
  F  F16  1  0.282  0.264  0.000  1.0
  F  F17  1  0.282  0.736  0.000  1.0
  F  F18  1  0.776  0.133  0.086  1.0
  F  F19  1  0.780  0.376  0.095  1.0
  F  F20  1  0.780  0.624  0.095  1.0
  F  F21  1  0.776  0.867  0.086  1.0
  F  F22  1  0.240  0.000  0.172  1.0
  F  F23  1  0.714  0.120  0.262  1.0
  F  F24  1  0.714  0.880  0.262  1.0
  F  F25  1  0.286  0.380  0.238  1.0
  F  F26  1  0.286  0.620  0.238  1.0
  F  F27  1  0.760  0.500  0.328  1.0
  F  F28  1  0.224  0.633  0.414  1.0
  F  F29  1  0.220  0.124  0.405  1.0
  F  F30  1  0.224  0.367  0.414  1.0
  F  F31  1  0.220  0.876  0.405  1.0
  F  F32  1  0.718  0.764  0.500  1.0
  F  F33  1  0.718  0.236  0.500  1.0
  F  F34  1  0.220  0.124  0.595  1.0
  F  F35  1  0.224  0.367  0.586  1.0
  F  F36  1  0.224  0.633  0.586  1.0
  F  F37  1  0.220  0.876  0.595  1.0
  F  F38  1  0.760  0.500  0.672  1.0
  F  F39  1  0.286  0.380  0.762  1.0
  F  F40  1  0.286  0.620  0.762  1.0
  F  F41  1  0.714  0.120  0.738  1.0
  F  F42  1  0.714  0.880  0.738  1.0
  F  F43  1  0.240  0.000  0.828  1.0
  F  F44  1  0.776  0.133  0.914  1.0
  F  F45  1  0.780  0.376  0.905  1.0
  F  F46  1  0.780  0.624  0.905  1.0
  F  F47  1  0.776  0.867  0.914  1.0
[/CIF]
.
The material structure described by LiVF4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent F(3) and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent F(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the second V site, V(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent V(2) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. is represented by the CIF file [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.976
_cell_length_b   11.175
_cell_length_c   15.462
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.960
_cell_formula_units_Z   8
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  0.515  0.500  0.146  1.0
  Li  Li1  1  0.000  0.750  0.250  1.0
  Li  Li2  1  0.000  0.250  0.250  1.0
  Li  Li3  1  0.485  0.000  0.354  1.0
  Li  Li4  1  0.485  0.000  0.646  1.0
  Li  Li5  1  0.000  0.250  0.750  1.0
  Li  Li6  1  0.000  0.750  0.750  1.0
  Li  Li7  1  0.515  0.500  0.854  1.0
  V  V8  1  0.783  0.267  0.000  1.0
  V  V9  1  0.783  0.733  0.000  1.0
  V  V10  1  0.739  0.000  0.168  1.0
  V  V11  1  0.261  0.500  0.332  1.0
  V  V12  1  0.217  0.767  0.500  1.0
  V  V13  1  0.217  0.233  0.500  1.0
  V  V14  1  0.261  0.500  0.668  1.0
  V  V15  1  0.739  0.000  0.832  1.0
  F  F16  1  0.282  0.264  0.000  1.0
  F  F17  1  0.282  0.736  0.000  1.0
  F  F18  1  0.776  0.133  0.086  1.0
  F  F19  1  0.780  0.376  0.095  1.0
  F  F20  1  0.780  0.624  0.095  1.0
  F  F21  1  0.776  0.867  0.086  1.0
  F  F22  1  0.240  0.000  0.172  1.0
  F  F23  1  0.714  0.120  0.262  1.0
  F  F24  1  0.714  0.880  0.262  1.0
  F  F25  1  0.286  0.380  0.238  1.0
  F  F26  1  0.286  0.620  0.238  1.0
  F  F27  1  0.760  0.500  0.328  1.0
  F  F28  1  0.224  0.633  0.414  1.0
  F  F29  1  0.220  0.124  0.405  1.0
  F  F30  1  0.224  0.367  0.414  1.0
  F  F31  1  0.220  0.876  0.405  1.0
  F  F32  1  0.718  0.764  0.500  1.0
  F  F33  1  0.718  0.236  0.500  1.0
  F  F34  1  0.220  0.124  0.595  1.0
  F  F35  1  0.224  0.367  0.586  1.0
  F  F36  1  0.224  0.633  0.586  1.0
  F  F37  1  0.220  0.876  0.595  1.0
  F  F38  1  0.760  0.500  0.672  1.0
  F  F39  1  0.286  0.380  0.762  1.0
  F  F40  1  0.286  0.620  0.762  1.0
  F  F41  1  0.714  0.120  0.738  1.0
  F  F42  1  0.714  0.880  0.738  1.0
  F  F43  1  0.240  0.000  0.828  1.0
  F  F44  1  0.776  0.133  0.914  1.0
  F  F45  1  0.780  0.376  0.905  1.0
  F  F46  1  0.780  0.624  0.905  1.0
  F  F47  1  0.776  0.867  0.914  1.0
[/CIF]
.