The material structure described by Li4VF6 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(2) and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), and two equivalent F(2) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form edge-sharing VF6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Li(1) atoms. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form distorted corner-sharing FLi3V tetrahedra. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Li4VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.258
_cell_length_b   7.598
_cell_length_c   14.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.345
_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  0.500  0.001  0.244  1.0
  Li  Li1  1  0.000  0.248  0.617  1.0
  Li  Li2  1  0.000  0.252  0.117  1.0
  Li  Li3  1  0.500  0.499  0.744  1.0
  Li  Li4  1  0.500  0.501  0.256  1.0
  Li  Li5  1  0.000  0.748  0.883  1.0
  Li  Li6  1  0.000  0.752  0.383  1.0
  Li  Li7  1  0.500  0.999  0.756  1.0
  V  V8  1  0.500  0.000  0.500  1.0
  V  V9  1  0.500  0.500  0.000  1.0
  F  F10  1  0.000  0.063  0.198  1.0
  F  F11  1  0.500  0.114  0.640  1.0
  F  F12  1  0.000  0.177  0.486  1.0
  F  F13  1  0.000  0.323  0.986  1.0
  F  F14  1  0.500  0.386  0.140  1.0
  F  F15  1  0.000  0.437  0.698  1.0
  F  F16  1  0.000  0.563  0.302  1.0
  F  F17  1  0.500  0.614  0.860  1.0
  F  F18  1  0.000  0.677  0.014  1.0
  F  F19  1  0.000  0.823  0.514  1.0
  F  F20  1  0.500  0.886  0.360  1.0
  F  F21  1  0.000  0.937  0.802  1.0
[/CIF]
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The material structure described by Li4VF6 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(2) and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one F(1), one F(3), and two equivalent F(2) atoms. V(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form edge-sharing VF6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(2) and two equivalent Li(1) atoms. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form distorted corner-sharing FLi3V tetrahedra. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(2) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Li4VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.258
_cell_length_b   7.598
_cell_length_c   14.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.345
_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  0.500  0.001  0.244  1.0
  Li  Li1  1  0.000  0.248  0.617  1.0
  Li  Li2  1  0.000  0.252  0.117  1.0
  Li  Li3  1  0.500  0.499  0.744  1.0
  Li  Li4  1  0.500  0.501  0.256  1.0
  Li  Li5  1  0.000  0.748  0.883  1.0
  Li  Li6  1  0.000  0.752  0.383  1.0
  Li  Li7  1  0.500  0.999  0.756  1.0
  V  V8  1  0.500  0.000  0.500  1.0
  V  V9  1  0.500  0.500  0.000  1.0
  F  F10  1  0.000  0.063  0.198  1.0
  F  F11  1  0.500  0.114  0.640  1.0
  F  F12  1  0.000  0.177  0.486  1.0
  F  F13  1  0.000  0.323  0.986  1.0
  F  F14  1  0.500  0.386  0.140  1.0
  F  F15  1  0.000  0.437  0.698  1.0
  F  F16  1  0.000  0.563  0.302  1.0
  F  F17  1  0.500  0.614  0.860  1.0
  F  F18  1  0.000  0.677  0.014  1.0
  F  F19  1  0.000  0.823  0.514  1.0
  F  F20  1  0.500  0.886  0.360  1.0
  F  F21  1  0.000  0.937  0.802  1.0
[/CIF]
.