The material structure described by LiV2O2F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with six equivalent V(1)O3F3 octahedra, and edges with four equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. V(1) is bonded to three equivalent O(1), one F(2), and two equivalent F(1) atoms to form VO3F3 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with four equivalent V(1)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and  a faceface with one V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form OLiV3 trigonal pyramids that share  a cornercorner with one F(2)Li2V2 trigonal pyramid, corners with three equivalent O(1)LiV3 trigonal pyramids, edges with two equivalent O(1)LiV3 trigonal pyramids, and edges with two equivalent F(2)Li2V2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with two equivalent O(1)LiV3 trigonal pyramids, corners with two equivalent F(2)Li2V2 trigonal pyramids, and edges with four equivalent O(1)LiV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   7.205
_cell_angle_alpha   70.001
_cell_angle_beta   70.001
_cell_angle_gamma   53.937
_symmetry_Int_Tables_number   1
_cell_volume   184.137
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.377  0.391  0.206  1.0
  V  V3  1  0.391  0.377  0.706  1.0
  V  V4  1  0.609  0.623  0.294  1.0
  V  V5  1  0.623  0.609  0.794  1.0
  O  O6  1  0.277  0.564  0.439  1.0
  O  O7  1  0.564  0.277  0.939  1.0
  O  O8  1  0.436  0.723  0.061  1.0
  O  O9  1  0.723  0.436  0.561  1.0
  F  F10  1  0.956  0.652  0.161  1.0
  F  F11  1  0.348  0.044  0.339  1.0
  F  F12  1  0.652  0.956  0.661  1.0
  F  F13  1  0.044  0.348  0.839  1.0
  F  F14  1  0.801  0.199  0.250  1.0
  F  F15  1  0.199  0.801  0.750  1.0
[/CIF]
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The material structure described by LiV2O2F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with six equivalent V(1)O3F3 octahedra, and edges with four equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. V(1) is bonded to three equivalent O(1), one F(2), and two equivalent F(1) atoms to form VO3F3 octahedra that share corners with three equivalent Li(1)O2F4 octahedra, corners with four equivalent V(1)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and  a faceface with one V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form OLiV3 trigonal pyramids that share  a cornercorner with one F(2)Li2V2 trigonal pyramid, corners with three equivalent O(1)LiV3 trigonal pyramids, edges with two equivalent O(1)LiV3 trigonal pyramids, and edges with two equivalent F(2)Li2V2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with two equivalent O(1)LiV3 trigonal pyramids, corners with two equivalent F(2)Li2V2 trigonal pyramids, and edges with four equivalent O(1)LiV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   7.205
_cell_angle_alpha   70.001
_cell_angle_beta   70.001
_cell_angle_gamma   53.937
_symmetry_Int_Tables_number   1
_cell_volume   184.137
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  V  V2  1  0.377  0.391  0.206  1.0
  V  V3  1  0.391  0.377  0.706  1.0
  V  V4  1  0.609  0.623  0.294  1.0
  V  V5  1  0.623  0.609  0.794  1.0
  O  O6  1  0.277  0.564  0.439  1.0
  O  O7  1  0.564  0.277  0.939  1.0
  O  O8  1  0.436  0.723  0.061  1.0
  O  O9  1  0.723  0.436  0.561  1.0
  F  F10  1  0.956  0.652  0.161  1.0
  F  F11  1  0.348  0.044  0.339  1.0
  F  F12  1  0.652  0.956  0.661  1.0
  F  F13  1  0.044  0.348  0.839  1.0
  F  F14  1  0.801  0.199  0.250  1.0
  F  F15  1  0.199  0.801  0.750  1.0
[/CIF]
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