The compound described by Li3V2F12 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(11), one F(12), one F(4), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded to one F(1), one F(12), one F(2), one F(5), one F(6), and one F(9) atom to form LiF6 octahedra that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(3), one F(4), one F(7), and one F(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share corners with four equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the second V site, V(2) is bonded to one F(10), one F(11), one F(12), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share  an edgeedge with one Li(2)F6 octahedra. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(3) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one V(2) atom. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Li(1), one Li(3), and one V(2) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Li(2) and one V(2) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Li(3) and one V(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. is represented by the CIF file [CIF]
data_Li3V2F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.842
_cell_length_b   5.030
_cell_length_c   9.728
_cell_angle_alpha   88.371
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.547
_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  0.393  0.984  0.892  1.0
  Li  Li1  1  0.850  0.503  0.618  1.0
  Li  Li2  1  0.315  0.018  0.602  1.0
  Li  Li3  1  0.607  0.984  0.392  1.0
  Li  Li4  1  0.150  0.503  0.118  1.0
  Li  Li5  1  0.685  0.018  0.102  1.0
  V  V6  1  0.007  0.002  0.868  1.0
  V  V7  1  0.506  0.497  0.633  1.0
  V  V8  1  0.993  0.002  0.368  1.0
  V  V9  1  0.494  0.497  0.133  1.0
  F  F10  1  0.139  0.177  0.979  1.0
  F  F11  1  0.019  0.712  0.983  1.0
  F  F12  1  0.852  0.125  0.969  1.0
  F  F13  1  0.173  0.885  0.774  1.0
  F  F14  1  0.997  0.290  0.752  1.0
  F  F15  1  0.885  0.822  0.756  1.0
  F  F16  1  0.494  0.786  0.750  1.0
  F  F17  1  0.369  0.289  0.741  1.0
  F  F18  1  0.674  0.352  0.717  1.0
  F  F19  1  0.352  0.663  0.537  1.0
  F  F20  1  0.491  0.202  0.512  1.0
  F  F21  1  0.655  0.679  0.520  1.0
  F  F22  1  0.861  0.177  0.479  1.0
  F  F23  1  0.981  0.712  0.483  1.0
  F  F24  1  0.148  0.125  0.469  1.0
  F  F25  1  0.827  0.885  0.274  1.0
  F  F26  1  0.003  0.290  0.252  1.0
  F  F27  1  0.115  0.822  0.256  1.0
  F  F28  1  0.506  0.786  0.250  1.0
  F  F29  1  0.631  0.289  0.241  1.0
  F  F30  1  0.326  0.352  0.217  1.0
  F  F31  1  0.648  0.663  0.037  1.0
  F  F32  1  0.509  0.202  0.012  1.0
  F  F33  1  0.345  0.679  0.020  1.0
[/CIF]
.
The compound described by Li3V2F12 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one F(11), one F(12), one F(4), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded to one F(1), one F(12), one F(2), one F(5), one F(6), and one F(9) atom to form LiF6 octahedra that share corners with four equivalent V(1)F6 octahedra and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(3), one F(4), one F(7), and one F(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form VF6 octahedra that share corners with four equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the second V site, V(2) is bonded to one F(10), one F(11), one F(12), one F(7), one F(8), and one F(9) atom to form VF6 octahedra that share  an edgeedge with one Li(2)F6 octahedra. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(3) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one V(2) atom. In the eighth F site, F(8) is bonded in a T-shaped geometry to one Li(1), one Li(3), and one V(2) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Li(2) and one V(2) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one Li(3) and one V(2) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one V(2) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. is represented by the CIF file [CIF]
data_Li3V2F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.842
_cell_length_b   5.030
_cell_length_c   9.728
_cell_angle_alpha   88.371
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.547
_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  0.393  0.984  0.892  1.0
  Li  Li1  1  0.850  0.503  0.618  1.0
  Li  Li2  1  0.315  0.018  0.602  1.0
  Li  Li3  1  0.607  0.984  0.392  1.0
  Li  Li4  1  0.150  0.503  0.118  1.0
  Li  Li5  1  0.685  0.018  0.102  1.0
  V  V6  1  0.007  0.002  0.868  1.0
  V  V7  1  0.506  0.497  0.633  1.0
  V  V8  1  0.993  0.002  0.368  1.0
  V  V9  1  0.494  0.497  0.133  1.0
  F  F10  1  0.139  0.177  0.979  1.0
  F  F11  1  0.019  0.712  0.983  1.0
  F  F12  1  0.852  0.125  0.969  1.0
  F  F13  1  0.173  0.885  0.774  1.0
  F  F14  1  0.997  0.290  0.752  1.0
  F  F15  1  0.885  0.822  0.756  1.0
  F  F16  1  0.494  0.786  0.750  1.0
  F  F17  1  0.369  0.289  0.741  1.0
  F  F18  1  0.674  0.352  0.717  1.0
  F  F19  1  0.352  0.663  0.537  1.0
  F  F20  1  0.491  0.202  0.512  1.0
  F  F21  1  0.655  0.679  0.520  1.0
  F  F22  1  0.861  0.177  0.479  1.0
  F  F23  1  0.981  0.712  0.483  1.0
  F  F24  1  0.148  0.125  0.469  1.0
  F  F25  1  0.827  0.885  0.274  1.0
  F  F26  1  0.003  0.290  0.252  1.0
  F  F27  1  0.115  0.822  0.256  1.0
  F  F28  1  0.506  0.786  0.250  1.0
  F  F29  1  0.631  0.289  0.241  1.0
  F  F30  1  0.326  0.352  0.217  1.0
  F  F31  1  0.648  0.663  0.037  1.0
  F  F32  1  0.509  0.202  0.012  1.0
  F  F33  1  0.345  0.679  0.020  1.0
[/CIF]
.