The crystal structure described by LiV2F7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the second V site, V(2) is bonded to one F(4), one F(5), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   7.494
_cell_length_c   13.248
_cell_angle_alpha   84.036
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.337
_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  0.241  0.149  0.073  1.0
  Li  Li1  1  0.259  0.649  0.073  1.0
  Li  Li2  1  0.741  0.351  0.927  1.0
  Li  Li3  1  0.759  0.851  0.927  1.0
  V  V4  1  0.756  0.335  0.182  1.0
  V  V5  1  0.744  0.835  0.182  1.0
  V  V6  1  0.251  0.272  0.394  1.0
  V  V7  1  0.249  0.772  0.394  1.0
  V  V8  1  0.751  0.228  0.606  1.0
  V  V9  1  0.749  0.728  0.606  1.0
  V  V10  1  0.256  0.165  0.818  1.0
  V  V11  1  0.244  0.665  0.818  1.0
  F  F12  1  0.062  0.416  0.108  1.0
  F  F13  1  0.562  0.306  0.059  1.0
  F  F14  1  0.904  0.084  0.176  1.0
  F  F15  1  0.438  0.916  0.108  1.0
  F  F16  1  0.938  0.806  0.059  1.0
  F  F17  1  0.596  0.584  0.176  1.0
  F  F18  1  0.947  0.354  0.311  1.0
  F  F19  1  0.456  0.242  0.268  1.0
  F  F20  1  0.553  0.854  0.311  1.0
  F  F21  1  0.044  0.742  0.268  1.0
  F  F22  1  0.370  0.523  0.394  1.0
  F  F23  1  0.130  0.023  0.394  1.0
  F  F24  1  0.549  0.195  0.480  1.0
  F  F25  1  0.049  0.305  0.520  1.0
  F  F26  1  0.951  0.695  0.480  1.0
  F  F27  1  0.451  0.805  0.520  1.0
  F  F28  1  0.870  0.977  0.606  1.0
  F  F29  1  0.630  0.477  0.606  1.0
  F  F30  1  0.956  0.258  0.732  1.0
  F  F31  1  0.447  0.146  0.689  1.0
  F  F32  1  0.544  0.758  0.732  1.0
  F  F33  1  0.053  0.646  0.689  1.0
  F  F34  1  0.404  0.416  0.824  1.0
  F  F35  1  0.062  0.194  0.941  1.0
  F  F36  1  0.562  0.084  0.892  1.0
  F  F37  1  0.096  0.916  0.824  1.0
  F  F38  1  0.438  0.694  0.941  1.0
  F  F39  1  0.938  0.584  0.892  1.0
[/CIF]
.
The crystal structure described by LiV2F7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 35-46°. In the second V site, V(2) is bonded to one F(4), one F(5), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_LiV2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   7.494
_cell_length_c   13.248
_cell_angle_alpha   84.036
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.337
_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  0.241  0.149  0.073  1.0
  Li  Li1  1  0.259  0.649  0.073  1.0
  Li  Li2  1  0.741  0.351  0.927  1.0
  Li  Li3  1  0.759  0.851  0.927  1.0
  V  V4  1  0.756  0.335  0.182  1.0
  V  V5  1  0.744  0.835  0.182  1.0
  V  V6  1  0.251  0.272  0.394  1.0
  V  V7  1  0.249  0.772  0.394  1.0
  V  V8  1  0.751  0.228  0.606  1.0
  V  V9  1  0.749  0.728  0.606  1.0
  V  V10  1  0.256  0.165  0.818  1.0
  V  V11  1  0.244  0.665  0.818  1.0
  F  F12  1  0.062  0.416  0.108  1.0
  F  F13  1  0.562  0.306  0.059  1.0
  F  F14  1  0.904  0.084  0.176  1.0
  F  F15  1  0.438  0.916  0.108  1.0
  F  F16  1  0.938  0.806  0.059  1.0
  F  F17  1  0.596  0.584  0.176  1.0
  F  F18  1  0.947  0.354  0.311  1.0
  F  F19  1  0.456  0.242  0.268  1.0
  F  F20  1  0.553  0.854  0.311  1.0
  F  F21  1  0.044  0.742  0.268  1.0
  F  F22  1  0.370  0.523  0.394  1.0
  F  F23  1  0.130  0.023  0.394  1.0
  F  F24  1  0.549  0.195  0.480  1.0
  F  F25  1  0.049  0.305  0.520  1.0
  F  F26  1  0.951  0.695  0.480  1.0
  F  F27  1  0.451  0.805  0.520  1.0
  F  F28  1  0.870  0.977  0.606  1.0
  F  F29  1  0.630  0.477  0.606  1.0
  F  F30  1  0.956  0.258  0.732  1.0
  F  F31  1  0.447  0.146  0.689  1.0
  F  F32  1  0.544  0.758  0.732  1.0
  F  F33  1  0.053  0.646  0.689  1.0
  F  F34  1  0.404  0.416  0.824  1.0
  F  F35  1  0.062  0.194  0.941  1.0
  F  F36  1  0.562  0.084  0.892  1.0
  F  F37  1  0.096  0.916  0.824  1.0
  F  F38  1  0.438  0.694  0.941  1.0
  F  F39  1  0.938  0.584  0.892  1.0
[/CIF]
.