The compound described by LiVF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one F(2) and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one F(4) and two equivalent F(3) atoms. V(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 9°. 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 trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.854
_cell_length_b   8.611
_cell_length_c   10.252
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   693.376
_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  0.709  0.250  0.552  1.0
  Li  Li1  1  0.744  0.250  0.953  1.0
  Li  Li2  1  0.756  0.750  0.453  1.0
  Li  Li3  1  0.791  0.750  0.052  1.0
  Li  Li4  1  0.209  0.250  0.948  1.0
  Li  Li5  1  0.244  0.250  0.547  1.0
  Li  Li6  1  0.256  0.750  0.047  1.0
  Li  Li7  1  0.291  0.750  0.448  1.0
  V  V8  1  0.639  0.061  0.249  1.0
  V  V9  1  0.639  0.439  0.249  1.0
  V  V10  1  0.861  0.561  0.749  1.0
  V  V11  1  0.861  0.939  0.749  1.0
  V  V12  1  0.139  0.061  0.251  1.0
  V  V13  1  0.139  0.439  0.251  1.0
  V  V14  1  0.361  0.561  0.751  1.0
  V  V15  1  0.361  0.939  0.751  1.0
  F  F16  1  0.610  0.567  0.763  1.0
  F  F17  1  0.610  0.933  0.763  1.0
  F  F18  1  0.634  0.250  0.374  1.0
  F  F19  1  0.627  0.587  0.388  1.0
  F  F20  1  0.627  0.913  0.388  1.0
  F  F21  1  0.648  0.250  0.123  1.0
  F  F22  1  0.660  0.584  0.111  1.0
  F  F23  1  0.660  0.916  0.111  1.0
  F  F24  1  0.840  0.084  0.611  1.0
  F  F25  1  0.840  0.416  0.611  1.0
  F  F26  1  0.852  0.750  0.623  1.0
  F  F27  1  0.873  0.087  0.888  1.0
  F  F28  1  0.873  0.413  0.888  1.0
  F  F29  1  0.866  0.750  0.874  1.0
  F  F30  1  0.890  0.067  0.263  1.0
  F  F31  1  0.890  0.433  0.263  1.0
  F  F32  1  0.110  0.567  0.737  1.0
  F  F33  1  0.110  0.933  0.737  1.0
  F  F34  1  0.134  0.250  0.126  1.0
  F  F35  1  0.127  0.587  0.112  1.0
  F  F36  1  0.127  0.913  0.112  1.0
  F  F37  1  0.148  0.250  0.377  1.0
  F  F38  1  0.160  0.584  0.389  1.0
  F  F39  1  0.160  0.916  0.389  1.0
  F  F40  1  0.340  0.084  0.889  1.0
  F  F41  1  0.340  0.416  0.889  1.0
  F  F42  1  0.352  0.750  0.877  1.0
  F  F43  1  0.373  0.087  0.612  1.0
  F  F44  1  0.373  0.413  0.612  1.0
  F  F45  1  0.366  0.750  0.626  1.0
  F  F46  1  0.390  0.067  0.237  1.0
  F  F47  1  0.390  0.433  0.237  1.0
[/CIF]
.
The compound described by LiVF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one F(2) and two equivalent F(5) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one F(4) and two equivalent F(3) atoms. V(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 9°. 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 trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2) and two equivalent V(1) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.854
_cell_length_b   8.611
_cell_length_c   10.252
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   693.376
_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  0.709  0.250  0.552  1.0
  Li  Li1  1  0.744  0.250  0.953  1.0
  Li  Li2  1  0.756  0.750  0.453  1.0
  Li  Li3  1  0.791  0.750  0.052  1.0
  Li  Li4  1  0.209  0.250  0.948  1.0
  Li  Li5  1  0.244  0.250  0.547  1.0
  Li  Li6  1  0.256  0.750  0.047  1.0
  Li  Li7  1  0.291  0.750  0.448  1.0
  V  V8  1  0.639  0.061  0.249  1.0
  V  V9  1  0.639  0.439  0.249  1.0
  V  V10  1  0.861  0.561  0.749  1.0
  V  V11  1  0.861  0.939  0.749  1.0
  V  V12  1  0.139  0.061  0.251  1.0
  V  V13  1  0.139  0.439  0.251  1.0
  V  V14  1  0.361  0.561  0.751  1.0
  V  V15  1  0.361  0.939  0.751  1.0
  F  F16  1  0.610  0.567  0.763  1.0
  F  F17  1  0.610  0.933  0.763  1.0
  F  F18  1  0.634  0.250  0.374  1.0
  F  F19  1  0.627  0.587  0.388  1.0
  F  F20  1  0.627  0.913  0.388  1.0
  F  F21  1  0.648  0.250  0.123  1.0
  F  F22  1  0.660  0.584  0.111  1.0
  F  F23  1  0.660  0.916  0.111  1.0
  F  F24  1  0.840  0.084  0.611  1.0
  F  F25  1  0.840  0.416  0.611  1.0
  F  F26  1  0.852  0.750  0.623  1.0
  F  F27  1  0.873  0.087  0.888  1.0
  F  F28  1  0.873  0.413  0.888  1.0
  F  F29  1  0.866  0.750  0.874  1.0
  F  F30  1  0.890  0.067  0.263  1.0
  F  F31  1  0.890  0.433  0.263  1.0
  F  F32  1  0.110  0.567  0.737  1.0
  F  F33  1  0.110  0.933  0.737  1.0
  F  F34  1  0.134  0.250  0.126  1.0
  F  F35  1  0.127  0.587  0.112  1.0
  F  F36  1  0.127  0.913  0.112  1.0
  F  F37  1  0.148  0.250  0.377  1.0
  F  F38  1  0.160  0.584  0.389  1.0
  F  F39  1  0.160  0.916  0.389  1.0
  F  F40  1  0.340  0.084  0.889  1.0
  F  F41  1  0.340  0.416  0.889  1.0
  F  F42  1  0.352  0.750  0.877  1.0
  F  F43  1  0.373  0.087  0.612  1.0
  F  F44  1  0.373  0.413  0.612  1.0
  F  F45  1  0.366  0.750  0.626  1.0
  F  F46  1  0.390  0.067  0.237  1.0
  F  F47  1  0.390  0.433  0.237  1.0
[/CIF]
.