The crystal structure described by LiV(OF)2 crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(2), one F(1), and one F(2) atom. V(1) is bonded to one O(2), two equivalent O(1), one F(1), and one F(2) atom to form distorted corner-sharing VO3F2 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   6.874
_cell_length_c   8.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.400
_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  0.518  0.371  0.224  1.0
  Li  Li1  1  0.518  0.871  0.276  1.0
  Li  Li2  1  0.482  0.371  0.724  1.0
  Li  Li3  1  0.482  0.871  0.776  1.0
  V  V4  1  0.048  0.994  0.056  1.0
  V  V5  1  0.952  0.494  0.944  1.0
  V  V6  1  0.048  0.494  0.444  1.0
  V  V7  1  0.952  0.994  0.556  1.0
  O  O8  1  0.030  0.736  0.977  1.0
  O  O9  1  0.198  0.987  0.217  1.0
  O  O10  1  0.198  0.487  0.283  1.0
  O  O11  1  0.030  0.236  0.523  1.0
  O  O12  1  0.970  0.736  0.477  1.0
  O  O13  1  0.802  0.987  0.717  1.0
  O  O14  1  0.802  0.487  0.783  1.0
  O  O15  1  0.970  0.236  0.023  1.0
  F  F16  1  0.683  0.512  0.077  1.0
  F  F17  1  0.722  0.937  0.115  1.0
  F  F18  1  0.683  0.012  0.423  1.0
  F  F19  1  0.722  0.437  0.385  1.0
  F  F20  1  0.317  0.512  0.577  1.0
  F  F21  1  0.278  0.937  0.615  1.0
  F  F22  1  0.278  0.437  0.885  1.0
  F  F23  1  0.317  0.012  0.923  1.0
[/CIF]
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The crystal structure described by LiV(OF)2 crystallizes in the orthorhombic Pca2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(2), one F(1), and one F(2) atom. V(1) is bonded to one O(2), two equivalent O(1), one F(1), and one F(2) atom to form distorted corner-sharing VO3F2 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. is represented by the CIF card [CIF]
data_LiV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   6.874
_cell_length_c   8.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.400
_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  0.518  0.371  0.224  1.0
  Li  Li1  1  0.518  0.871  0.276  1.0
  Li  Li2  1  0.482  0.371  0.724  1.0
  Li  Li3  1  0.482  0.871  0.776  1.0
  V  V4  1  0.048  0.994  0.056  1.0
  V  V5  1  0.952  0.494  0.944  1.0
  V  V6  1  0.048  0.494  0.444  1.0
  V  V7  1  0.952  0.994  0.556  1.0
  O  O8  1  0.030  0.736  0.977  1.0
  O  O9  1  0.198  0.987  0.217  1.0
  O  O10  1  0.198  0.487  0.283  1.0
  O  O11  1  0.030  0.236  0.523  1.0
  O  O12  1  0.970  0.736  0.477  1.0
  O  O13  1  0.802  0.987  0.717  1.0
  O  O14  1  0.802  0.487  0.783  1.0
  O  O15  1  0.970  0.236  0.023  1.0
  F  F16  1  0.683  0.512  0.077  1.0
  F  F17  1  0.722  0.937  0.115  1.0
  F  F18  1  0.683  0.012  0.423  1.0
  F  F19  1  0.722  0.437  0.385  1.0
  F  F20  1  0.317  0.512  0.577  1.0
  F  F21  1  0.278  0.937  0.615  1.0
  F  F22  1  0.278  0.437  0.885  1.0
  F  F23  1  0.317  0.012  0.923  1.0
[/CIF]
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