The material described by Li2VF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(2), one F(5), two equivalent F(1), and two equivalent F(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms. V(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms to form edge-sharing VF7 pentagonal bipyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form distorted corner-sharing FLi3V tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) 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_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.130
_cell_length_c   15.090
_cell_angle_alpha   83.613
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.266
_cell_formula_units_Z   4
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  0.489  0.744  0.751  1.0
  Li  Li1  1  0.979  0.679  0.912  1.0
  Li  Li2  1  0.011  0.744  0.251  1.0
  Li  Li3  1  0.521  0.679  0.412  1.0
  Li  Li4  1  0.479  0.321  0.588  1.0
  Li  Li5  1  0.989  0.256  0.749  1.0
  Li  Li6  1  0.021  0.321  0.088  1.0
  Li  Li7  1  0.511  0.256  0.249  1.0
  V  V8  1  0.939  0.827  0.600  1.0
  V  V9  1  0.561  0.827  0.100  1.0
  V  V10  1  0.439  0.173  0.900  1.0
  V  V11  1  0.061  0.173  0.400  1.0
  F  F12  1  0.177  0.981  0.840  1.0
  F  F13  1  0.662  0.927  0.847  1.0
  F  F14  1  0.323  0.870  0.988  1.0
  F  F15  1  0.323  0.981  0.340  1.0
  F  F16  1  0.838  0.927  0.347  1.0
  F  F17  1  0.177  0.870  0.488  1.0
  F  F18  1  0.705  0.640  0.532  1.0
  F  F19  1  0.220  0.599  0.628  1.0
  F  F20  1  0.790  0.567  0.695  1.0
  F  F21  1  0.290  0.433  0.805  1.0
  F  F22  1  0.720  0.401  0.872  1.0
  F  F23  1  0.205  0.360  0.968  1.0
  F  F24  1  0.795  0.640  0.032  1.0
  F  F25  1  0.280  0.599  0.128  1.0
  F  F26  1  0.710  0.567  0.195  1.0
  F  F27  1  0.210  0.433  0.305  1.0
  F  F28  1  0.780  0.401  0.372  1.0
  F  F29  1  0.295  0.360  0.468  1.0
  F  F30  1  0.823  0.130  0.512  1.0
  F  F31  1  0.162  0.073  0.653  1.0
  F  F32  1  0.677  0.019  0.660  1.0
  F  F33  1  0.677  0.130  0.012  1.0
  F  F34  1  0.338  0.073  0.153  1.0
  F  F35  1  0.823  0.019  0.160  1.0
[/CIF]
.
The material described by Li2VF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one F(2), one F(5), two equivalent F(1), and two equivalent F(6) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms. V(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms to form edge-sharing VF7 pentagonal bipyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(2), two equivalent Li(1), and one V(1) atom to form distorted corner-sharing FLi3V tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) 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_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.130
_cell_length_c   15.090
_cell_angle_alpha   83.613
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.266
_cell_formula_units_Z   4
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  0.489  0.744  0.751  1.0
  Li  Li1  1  0.979  0.679  0.912  1.0
  Li  Li2  1  0.011  0.744  0.251  1.0
  Li  Li3  1  0.521  0.679  0.412  1.0
  Li  Li4  1  0.479  0.321  0.588  1.0
  Li  Li5  1  0.989  0.256  0.749  1.0
  Li  Li6  1  0.021  0.321  0.088  1.0
  Li  Li7  1  0.511  0.256  0.249  1.0
  V  V8  1  0.939  0.827  0.600  1.0
  V  V9  1  0.561  0.827  0.100  1.0
  V  V10  1  0.439  0.173  0.900  1.0
  V  V11  1  0.061  0.173  0.400  1.0
  F  F12  1  0.177  0.981  0.840  1.0
  F  F13  1  0.662  0.927  0.847  1.0
  F  F14  1  0.323  0.870  0.988  1.0
  F  F15  1  0.323  0.981  0.340  1.0
  F  F16  1  0.838  0.927  0.347  1.0
  F  F17  1  0.177  0.870  0.488  1.0
  F  F18  1  0.705  0.640  0.532  1.0
  F  F19  1  0.220  0.599  0.628  1.0
  F  F20  1  0.790  0.567  0.695  1.0
  F  F21  1  0.290  0.433  0.805  1.0
  F  F22  1  0.720  0.401  0.872  1.0
  F  F23  1  0.205  0.360  0.968  1.0
  F  F24  1  0.795  0.640  0.032  1.0
  F  F25  1  0.280  0.599  0.128  1.0
  F  F26  1  0.710  0.567  0.195  1.0
  F  F27  1  0.210  0.433  0.305  1.0
  F  F28  1  0.780  0.401  0.372  1.0
  F  F29  1  0.295  0.360  0.468  1.0
  F  F30  1  0.823  0.130  0.512  1.0
  F  F31  1  0.162  0.073  0.653  1.0
  F  F32  1  0.677  0.019  0.660  1.0
  F  F33  1  0.677  0.130  0.012  1.0
  F  F34  1  0.338  0.073  0.153  1.0
  F  F35  1  0.823  0.019  0.160  1.0
[/CIF]
.