The structure described by Li3V2(O2F)2 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Li site, Li(3) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing LiF6 octahedra. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), one 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 O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are four inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Li(4), one V(1), and two equivalent V(2) atoms to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids, corners with four equivalent F(2)Li5 square pyramids,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one F(1)Li5 square pyramid, edges with two equivalent O(4)Li2V3 square pyramids, and edges with four equivalent O(2)Li2V3 square pyramids. In the second O site, O(4) is bonded to two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi2V3 square pyramids. In the third O site, O(1) is bonded to two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi2V3 square pyramids. In the fourth O site, O(2) is bonded to two equivalent Li(4), one V(1), and two equivalent V(2) atoms to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent F(1)Li5 square pyramids, corners with two equivalent F(2)Li5 square pyramids,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one F(2)Li5 square pyramid, edges with two equivalent O(2)Li2V3 square pyramids, edges with two equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(4)Li2V3 square pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), two equivalent Li(1), and two equivalent Li(4) atoms to form FLi5 square pyramids that share  a cornercorner with one F(1)Li5 square pyramid, corners with four equivalent O(2)Li2V3 square pyramids, corners with four equivalent F(2)Li5 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one F(1)Li5 square pyramid, and edges with six equivalent F(2)Li5 square pyramids. In the second F site, F(2) is bonded to one Li(3), two equivalent Li(1), and two equivalent Li(4) atoms to form FLi5 square pyramids that share corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent F(1)Li5 square pyramids, corners with three equivalent F(2)Li5 square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid, edges with three equivalent F(1)Li5 square pyramids, and edges with four equivalent F(2)Li5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.152
_cell_length_b   5.152
_cell_length_c   14.854
_cell_angle_alpha   89.652
_cell_angle_beta   89.652
_cell_angle_gamma   120.252
_symmetry_Int_Tables_number   1
_cell_volume   340.596
_cell_formula_units_Z   3
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  0.657  0.343  0.500  1.0
  Li  Li1  1  0.667  0.333  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.338  0.003  0.359  1.0
  Li  Li4  1  0.662  0.997  0.641  1.0
  Li  Li5  1  0.333  0.667  0.000  1.0
  Li  Li6  1  0.343  0.657  0.500  1.0
  Li  Li7  1  0.997  0.662  0.641  1.0
  Li  Li8  1  0.003  0.338  0.359  1.0
  V  V9  1  0.667  0.667  0.831  1.0
  V  V10  1  0.333  0.333  0.169  1.0
  V  V11  1  0.330  0.003  0.833  1.0
  V  V12  1  0.670  0.997  0.167  1.0
  V  V13  1  0.997  0.670  0.167  1.0
  V  V14  1  0.003  0.330  0.833  1.0
  O  O15  1  0.646  0.646  0.093  1.0
  O  O16  1  0.675  0.339  0.765  1.0
  O  O17  1  0.661  0.325  0.235  1.0
  O  O18  1  0.354  0.354  0.907  1.0
  O  O19  1  0.980  0.980  0.763  1.0
  O  O20  1  0.020  0.020  0.237  1.0
  O  O21  1  0.347  0.006  0.094  1.0
  O  O22  1  0.653  0.994  0.906  1.0
  O  O23  1  0.325  0.661  0.235  1.0
  O  O24  1  0.339  0.675  0.765  1.0
  O  O25  1  0.994  0.653  0.906  1.0
  O  O26  1  0.006  0.347  0.094  1.0
  F  F27  1  0.687  0.687  0.577  1.0
  F  F28  1  0.313  0.313  0.423  1.0
  F  F29  1  0.331  0.975  0.580  1.0
  F  F30  1  0.669  0.025  0.420  1.0
  F  F31  1  0.025  0.669  0.420  1.0
  F  F32  1  0.975  0.331  0.580  1.0
[/CIF]
.
The structure described by Li3V2(O2F)2 crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Li site, Li(3) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing LiF6 octahedra. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), one 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 O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are four inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Li(4), one V(1), and two equivalent V(2) atoms to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(4)Li2V3 square pyramids, corners with four equivalent F(2)Li5 square pyramids,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one F(1)Li5 square pyramid, edges with two equivalent O(4)Li2V3 square pyramids, and edges with four equivalent O(2)Li2V3 square pyramids. In the second O site, O(4) is bonded to two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi2V3 square pyramids. In the third O site, O(1) is bonded to two equivalent Li(2), one V(1), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OLi2V3 square pyramids. In the fourth O site, O(2) is bonded to two equivalent Li(4), one V(1), and two equivalent V(2) atoms to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent O(4)Li2V3 square pyramids, corners with two equivalent F(1)Li5 square pyramids, corners with two equivalent F(2)Li5 square pyramids,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one F(2)Li5 square pyramid, edges with two equivalent O(2)Li2V3 square pyramids, edges with two equivalent O(3)Li2V3 square pyramids, and edges with two equivalent O(4)Li2V3 square pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Li(3), two equivalent Li(1), and two equivalent Li(4) atoms to form FLi5 square pyramids that share  a cornercorner with one F(1)Li5 square pyramid, corners with four equivalent O(2)Li2V3 square pyramids, corners with four equivalent F(2)Li5 square pyramids,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one F(1)Li5 square pyramid, and edges with six equivalent F(2)Li5 square pyramids. In the second F site, F(2) is bonded to one Li(3), two equivalent Li(1), and two equivalent Li(4) atoms to form FLi5 square pyramids that share corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(3)Li2V3 square pyramids, corners with two equivalent F(1)Li5 square pyramids, corners with three equivalent F(2)Li5 square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid, edges with three equivalent F(1)Li5 square pyramids, and edges with four equivalent F(2)Li5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.152
_cell_length_b   5.152
_cell_length_c   14.854
_cell_angle_alpha   89.652
_cell_angle_beta   89.652
_cell_angle_gamma   120.252
_symmetry_Int_Tables_number   1
_cell_volume   340.596
_cell_formula_units_Z   3
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  0.657  0.343  0.500  1.0
  Li  Li1  1  0.667  0.333  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.338  0.003  0.359  1.0
  Li  Li4  1  0.662  0.997  0.641  1.0
  Li  Li5  1  0.333  0.667  0.000  1.0
  Li  Li6  1  0.343  0.657  0.500  1.0
  Li  Li7  1  0.997  0.662  0.641  1.0
  Li  Li8  1  0.003  0.338  0.359  1.0
  V  V9  1  0.667  0.667  0.831  1.0
  V  V10  1  0.333  0.333  0.169  1.0
  V  V11  1  0.330  0.003  0.833  1.0
  V  V12  1  0.670  0.997  0.167  1.0
  V  V13  1  0.997  0.670  0.167  1.0
  V  V14  1  0.003  0.330  0.833  1.0
  O  O15  1  0.646  0.646  0.093  1.0
  O  O16  1  0.675  0.339  0.765  1.0
  O  O17  1  0.661  0.325  0.235  1.0
  O  O18  1  0.354  0.354  0.907  1.0
  O  O19  1  0.980  0.980  0.763  1.0
  O  O20  1  0.020  0.020  0.237  1.0
  O  O21  1  0.347  0.006  0.094  1.0
  O  O22  1  0.653  0.994  0.906  1.0
  O  O23  1  0.325  0.661  0.235  1.0
  O  O24  1  0.339  0.675  0.765  1.0
  O  O25  1  0.994  0.653  0.906  1.0
  O  O26  1  0.006  0.347  0.094  1.0
  F  F27  1  0.687  0.687  0.577  1.0
  F  F28  1  0.313  0.313  0.423  1.0
  F  F29  1  0.331  0.975  0.580  1.0
  F  F30  1  0.669  0.025  0.420  1.0
  F  F31  1  0.025  0.669  0.420  1.0
  F  F32  1  0.975  0.331  0.580  1.0
[/CIF]
.