The structure described by LiV2O2F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted linear geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to three equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. O(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted corner-sharing FLi2V2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiV2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.992
_cell_length_c   7.655
_cell_angle_alpha   79.112
_cell_angle_beta   109.495
_cell_angle_gamma   64.762
_symmetry_Int_Tables_number   1
_cell_volume   184.156
_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  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.807  0.985  0.128  1.0
  V  V3  1  0.336  0.485  0.628  1.0
  V  V4  1  0.664  0.515  0.372  1.0
  V  V5  1  0.193  0.015  0.872  1.0
  O  O6  1  0.234  0.735  0.364  1.0
  O  O7  1  0.394  0.235  0.864  1.0
  O  O8  1  0.606  0.765  0.136  1.0
  O  O9  1  0.766  0.265  0.636  1.0
  F  F10  1  0.426  0.750  0.750  1.0
  F  F11  1  0.849  0.702  0.541  1.0
  F  F12  1  0.990  0.202  0.041  1.0
  F  F13  1  0.010  0.798  0.959  1.0
  F  F14  1  0.151  0.298  0.459  1.0
  F  F15  1  0.574  0.250  0.250  1.0
[/CIF]
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The structure described by LiV2O2F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted linear geometry to two equivalent F(1) and two equivalent F(2) atoms. V(1) is bonded to three equivalent O(1), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. O(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted corner-sharing FLi2V2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_LiV2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.992
_cell_length_c   7.655
_cell_angle_alpha   79.112
_cell_angle_beta   109.495
_cell_angle_gamma   64.762
_symmetry_Int_Tables_number   1
_cell_volume   184.156
_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  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  V  V2  1  0.807  0.985  0.128  1.0
  V  V3  1  0.336  0.485  0.628  1.0
  V  V4  1  0.664  0.515  0.372  1.0
  V  V5  1  0.193  0.015  0.872  1.0
  O  O6  1  0.234  0.735  0.364  1.0
  O  O7  1  0.394  0.235  0.864  1.0
  O  O8  1  0.606  0.765  0.136  1.0
  O  O9  1  0.766  0.265  0.636  1.0
  F  F10  1  0.426  0.750  0.750  1.0
  F  F11  1  0.849  0.702  0.541  1.0
  F  F12  1  0.990  0.202  0.041  1.0
  F  F13  1  0.010  0.798  0.959  1.0
  F  F14  1  0.151  0.298  0.459  1.0
  F  F15  1  0.574  0.250  0.250  1.0
[/CIF]
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