The compound described by Li2V2F7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(7) atom to form distorted LiF4 trigonal pyramids that share corners with two equivalent V(2)F6 octahedra, corners with four equivalent V(1)F6 octahedra, and  an edgeedge with one Li(2)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-64°. In the second Li site, Li(2) is bonded to one F(1), one F(5), one F(6), and one F(7) atom to form distorted LiF4 trigonal pyramids that share corners with two equivalent V(1)F6 octahedra, corners with four equivalent V(2)F6 octahedra, and  an edgeedge with one Li(1)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 40-58°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(2), one F(4), one F(5), one F(7), and two equivalent F(3) atoms to form VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with two equivalent Li(2)F4 trigonal pyramids, corners with four equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second V site, V(2) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(6) atoms to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra, corners with two equivalent Li(1)F4 trigonal pyramids, corners with four equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent V(2) atoms. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   7.672
_cell_length_c   10.367
_cell_angle_alpha   89.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.686
_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  0.849  0.683  0.859  1.0
  Li  Li1  1  0.869  0.852  0.634  1.0
  Li  Li2  1  0.369  0.148  0.866  1.0
  Li  Li3  1  0.349  0.317  0.641  1.0
  Li  Li4  1  0.651  0.683  0.359  1.0
  Li  Li5  1  0.631  0.852  0.134  1.0
  Li  Li6  1  0.131  0.148  0.366  1.0
  Li  Li7  1  0.151  0.317  0.141  1.0
  V  V8  1  0.369  0.606  0.906  1.0
  V  V9  1  0.368  0.874  0.580  1.0
  V  V10  1  0.868  0.126  0.920  1.0
  V  V11  1  0.869  0.394  0.594  1.0
  V  V12  1  0.131  0.606  0.406  1.0
  V  V13  1  0.132  0.874  0.080  1.0
  V  V14  1  0.632  0.126  0.420  1.0
  V  V15  1  0.631  0.394  0.094  1.0
  F  F16  1  0.824  0.925  0.805  1.0
  F  F17  1  0.093  0.686  0.939  1.0
  F  F18  1  0.650  0.549  0.931  1.0
  F  F19  1  0.400  0.727  0.735  1.0
  F  F20  1  0.594  0.180  0.969  1.0
  F  F21  1  0.645  0.937  0.560  1.0
  F  F22  1  0.834  0.618  0.686  1.0
  F  F23  1  0.334  0.382  0.814  1.0
  F  F24  1  0.145  0.063  0.940  1.0
  F  F25  1  0.094  0.820  0.531  1.0
  F  F26  1  0.900  0.273  0.765  1.0
  F  F27  1  0.150  0.451  0.569  1.0
  F  F28  1  0.676  0.925  0.305  1.0
  F  F29  1  0.407  0.686  0.439  1.0
  F  F30  1  0.593  0.314  0.561  1.0
  F  F31  1  0.324  0.075  0.695  1.0
  F  F32  1  0.850  0.549  0.431  1.0
  F  F33  1  0.100  0.727  0.235  1.0
  F  F34  1  0.906  0.180  0.469  1.0
  F  F35  1  0.855  0.937  0.060  1.0
  F  F36  1  0.666  0.618  0.186  1.0
  F  F37  1  0.166  0.382  0.314  1.0
  F  F38  1  0.355  0.063  0.440  1.0
  F  F39  1  0.406  0.820  0.031  1.0
  F  F40  1  0.600  0.273  0.265  1.0
  F  F41  1  0.350  0.451  0.069  1.0
  F  F42  1  0.907  0.314  0.061  1.0
  F  F43  1  0.176  0.075  0.195  1.0
[/CIF]
.
The compound described by Li2V2F7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(7) atom to form distorted LiF4 trigonal pyramids that share corners with two equivalent V(2)F6 octahedra, corners with four equivalent V(1)F6 octahedra, and  an edgeedge with one Li(2)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-64°. In the second Li site, Li(2) is bonded to one F(1), one F(5), one F(6), and one F(7) atom to form distorted LiF4 trigonal pyramids that share corners with two equivalent V(1)F6 octahedra, corners with four equivalent V(2)F6 octahedra, and  an edgeedge with one Li(1)F4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 40-58°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(2), one F(4), one F(5), one F(7), and two equivalent F(3) atoms to form VF6 octahedra that share  a cornercorner with one V(2)F6 octahedra, corners with two equivalent Li(2)F4 trigonal pyramids, corners with four equivalent Li(1)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second V site, V(2) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(6) atoms to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra, corners with two equivalent Li(1)F4 trigonal pyramids, corners with four equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one V(2)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent V(2) atoms. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.214
_cell_length_b   7.672
_cell_length_c   10.367
_cell_angle_alpha   89.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.686
_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  0.849  0.683  0.859  1.0
  Li  Li1  1  0.869  0.852  0.634  1.0
  Li  Li2  1  0.369  0.148  0.866  1.0
  Li  Li3  1  0.349  0.317  0.641  1.0
  Li  Li4  1  0.651  0.683  0.359  1.0
  Li  Li5  1  0.631  0.852  0.134  1.0
  Li  Li6  1  0.131  0.148  0.366  1.0
  Li  Li7  1  0.151  0.317  0.141  1.0
  V  V8  1  0.369  0.606  0.906  1.0
  V  V9  1  0.368  0.874  0.580  1.0
  V  V10  1  0.868  0.126  0.920  1.0
  V  V11  1  0.869  0.394  0.594  1.0
  V  V12  1  0.131  0.606  0.406  1.0
  V  V13  1  0.132  0.874  0.080  1.0
  V  V14  1  0.632  0.126  0.420  1.0
  V  V15  1  0.631  0.394  0.094  1.0
  F  F16  1  0.824  0.925  0.805  1.0
  F  F17  1  0.093  0.686  0.939  1.0
  F  F18  1  0.650  0.549  0.931  1.0
  F  F19  1  0.400  0.727  0.735  1.0
  F  F20  1  0.594  0.180  0.969  1.0
  F  F21  1  0.645  0.937  0.560  1.0
  F  F22  1  0.834  0.618  0.686  1.0
  F  F23  1  0.334  0.382  0.814  1.0
  F  F24  1  0.145  0.063  0.940  1.0
  F  F25  1  0.094  0.820  0.531  1.0
  F  F26  1  0.900  0.273  0.765  1.0
  F  F27  1  0.150  0.451  0.569  1.0
  F  F28  1  0.676  0.925  0.305  1.0
  F  F29  1  0.407  0.686  0.439  1.0
  F  F30  1  0.593  0.314  0.561  1.0
  F  F31  1  0.324  0.075  0.695  1.0
  F  F32  1  0.850  0.549  0.431  1.0
  F  F33  1  0.100  0.727  0.235  1.0
  F  F34  1  0.906  0.180  0.469  1.0
  F  F35  1  0.855  0.937  0.060  1.0
  F  F36  1  0.666  0.618  0.186  1.0
  F  F37  1  0.166  0.382  0.314  1.0
  F  F38  1  0.355  0.063  0.440  1.0
  F  F39  1  0.406  0.820  0.031  1.0
  F  F40  1  0.600  0.273  0.265  1.0
  F  F41  1  0.350  0.451  0.069  1.0
  F  F42  1  0.907  0.314  0.061  1.0
  F  F43  1  0.176  0.075  0.195  1.0
[/CIF]
.