The material structure described by LiV2OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(10), one F(3), one F(4), and one F(9) atom to form LiOF5 octahedra that share corners with four equivalent V(3)OF5 octahedra, corners with four equivalent V(4)OF5 octahedra,  an edgeedge with one V(1)OF5 octahedra, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Li site, Li(2) is bonded to one O(2), one F(2), one F(5), one F(6), one F(7), and one F(8) atom to form LiOF5 octahedra that share corners with four equivalent V(1)OF5 octahedra, corners with four equivalent V(2)OF5 octahedra,  an edgeedge with one V(3)OF5 octahedra, and  an edgeedge with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(10), one F(2), one F(5), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent Li(2)OF5 octahedra, corners with four equivalent V(3)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(6), one F(7), one F(8), and one F(9) atom to form VOF5 octahedra that share corners with four equivalent Li(2)OF5 octahedra, corners with four equivalent V(4)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the third V site, V(3) is bonded to one O(2), one F(1), one F(10), one F(3), one F(4), and one F(5) atom to form VOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth V site, V(4) is bonded to one O(1), one F(3), one F(4), one F(6), one F(7), and one F(9) atom to form VOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(2)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one V(3) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one V(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_LiV2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.755
_cell_length_b   4.755
_cell_length_c   18.614
_cell_angle_alpha   89.779
_cell_angle_beta   89.779
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   420.795
_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  0.996  0.003  1.000  1.0
  Li  Li1  1  0.003  0.996  0.500  1.0
  Li  Li2  1  0.496  0.497  0.250  1.0
  Li  Li3  1  0.497  0.496  0.750  1.0
  V  V4  1  0.022  0.975  0.167  1.0
  V  V5  1  0.992  0.992  0.340  1.0
  V  V6  1  0.975  0.022  0.667  1.0
  V  V7  1  0.992  0.992  0.840  1.0
  V  V8  1  0.491  0.507  0.090  1.0
  V  V9  1  0.524  0.521  0.417  1.0
  V  V10  1  0.521  0.524  0.917  1.0
  V  V11  1  0.507  0.491  0.590  1.0
  O  O12  1  0.792  0.790  0.406  1.0
  O  O13  1  0.790  0.792  0.906  1.0
  O  O14  1  0.707  0.290  0.656  1.0
  O  O15  1  0.290  0.707  0.156  1.0
  F  F16  1  0.800  0.803  0.084  1.0
  F  F17  1  0.803  0.800  0.584  1.0
  F  F18  1  0.807  0.805  0.251  1.0
  F  F19  1  0.805  0.807  0.751  1.0
  F  F20  1  0.688  0.314  0.002  1.0
  F  F21  1  0.695  0.306  0.501  1.0
  F  F22  1  0.711  0.287  0.165  1.0
  F  F23  1  0.697  0.301  0.835  1.0
  F  F24  1  0.698  0.301  0.334  1.0
  F  F25  1  0.301  0.697  0.335  1.0
  F  F26  1  0.301  0.698  0.834  1.0
  F  F27  1  0.287  0.711  0.665  1.0
  F  F28  1  0.314  0.688  0.502  1.0
  F  F29  1  0.306  0.695  0.001  1.0
  F  F30  1  0.185  0.190  0.752  1.0
  F  F31  1  0.190  0.185  0.252  1.0
  F  F32  1  0.212  0.210  0.415  1.0
  F  F33  1  0.210  0.212  0.915  1.0
  F  F34  1  0.199  0.197  0.585  1.0
  F  F35  1  0.197  0.199  0.085  1.0
[/CIF]
.
The material structure described by LiV2OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(10), one F(3), one F(4), and one F(9) atom to form LiOF5 octahedra that share corners with four equivalent V(3)OF5 octahedra, corners with four equivalent V(4)OF5 octahedra,  an edgeedge with one V(1)OF5 octahedra, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Li site, Li(2) is bonded to one O(2), one F(2), one F(5), one F(6), one F(7), and one F(8) atom to form LiOF5 octahedra that share corners with four equivalent V(1)OF5 octahedra, corners with four equivalent V(2)OF5 octahedra,  an edgeedge with one V(3)OF5 octahedra, and  an edgeedge with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(10), one F(2), one F(5), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent Li(2)OF5 octahedra, corners with four equivalent V(3)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second V site, V(2) is bonded to one O(1), one F(2), one F(6), one F(7), one F(8), and one F(9) atom to form VOF5 octahedra that share corners with four equivalent Li(2)OF5 octahedra, corners with four equivalent V(4)OF5 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the third V site, V(3) is bonded to one O(2), one F(1), one F(10), one F(3), one F(4), and one F(5) atom to form VOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(1)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the fourth V site, V(4) is bonded to one O(1), one F(3), one F(4), one F(6), one F(7), and one F(9) atom to form VOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra, corners with four equivalent V(2)OF5 octahedra,  an edgeedge with one Li(2)OF5 octahedra, and  an edgeedge with one V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one V(3) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(4) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one V(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_LiV2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.755
_cell_length_b   4.755
_cell_length_c   18.614
_cell_angle_alpha   89.779
_cell_angle_beta   89.779
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   420.795
_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  0.996  0.003  1.000  1.0
  Li  Li1  1  0.003  0.996  0.500  1.0
  Li  Li2  1  0.496  0.497  0.250  1.0
  Li  Li3  1  0.497  0.496  0.750  1.0
  V  V4  1  0.022  0.975  0.167  1.0
  V  V5  1  0.992  0.992  0.340  1.0
  V  V6  1  0.975  0.022  0.667  1.0
  V  V7  1  0.992  0.992  0.840  1.0
  V  V8  1  0.491  0.507  0.090  1.0
  V  V9  1  0.524  0.521  0.417  1.0
  V  V10  1  0.521  0.524  0.917  1.0
  V  V11  1  0.507  0.491  0.590  1.0
  O  O12  1  0.792  0.790  0.406  1.0
  O  O13  1  0.790  0.792  0.906  1.0
  O  O14  1  0.707  0.290  0.656  1.0
  O  O15  1  0.290  0.707  0.156  1.0
  F  F16  1  0.800  0.803  0.084  1.0
  F  F17  1  0.803  0.800  0.584  1.0
  F  F18  1  0.807  0.805  0.251  1.0
  F  F19  1  0.805  0.807  0.751  1.0
  F  F20  1  0.688  0.314  0.002  1.0
  F  F21  1  0.695  0.306  0.501  1.0
  F  F22  1  0.711  0.287  0.165  1.0
  F  F23  1  0.697  0.301  0.835  1.0
  F  F24  1  0.698  0.301  0.334  1.0
  F  F25  1  0.301  0.697  0.335  1.0
  F  F26  1  0.301  0.698  0.834  1.0
  F  F27  1  0.287  0.711  0.665  1.0
  F  F28  1  0.314  0.688  0.502  1.0
  F  F29  1  0.306  0.695  0.001  1.0
  F  F30  1  0.185  0.190  0.752  1.0
  F  F31  1  0.190  0.185  0.252  1.0
  F  F32  1  0.212  0.210  0.415  1.0
  F  F33  1  0.210  0.212  0.915  1.0
  F  F34  1  0.199  0.197  0.585  1.0
  F  F35  1  0.197  0.199  0.085  1.0
[/CIF]
.