The crystal structure described by LiV(OF)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(2), and one F(2) atom. V(1) is bonded to one O(1), one O(2), one F(2), and two equivalent F(1) atoms to form corner-sharing VO2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Li(1) and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(1) atoms. 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 file [CIF]
data_LiV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.895
_cell_length_b   5.814
_cell_length_c   6.968
_cell_angle_alpha   78.021
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.360
_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  0.712  0.686  0.831  1.0
  Li  Li1  1  0.212  0.314  0.169  1.0
  V  V2  1  0.765  0.817  0.291  1.0
  V  V3  1  0.265  0.183  0.709  1.0
  O  O4  1  0.271  0.898  0.809  1.0
  O  O5  1  0.273  0.347  0.880  1.0
  O  O6  1  0.773  0.653  0.120  1.0
  O  O7  1  0.771  0.102  0.191  1.0
  F  F8  1  0.268  0.813  0.330  1.0
  F  F9  1  0.769  0.690  0.560  1.0
  F  F10  1  0.269  0.310  0.440  1.0
  F  F11  1  0.768  0.187  0.670  1.0
[/CIF]
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The crystal structure described by LiV(OF)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(2), and one F(2) atom. V(1) is bonded to one O(1), one O(2), one F(2), and two equivalent F(1) atoms to form corner-sharing VO2F3 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Li(1) and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(1) atoms. 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 file [CIF]
data_LiV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.895
_cell_length_b   5.814
_cell_length_c   6.968
_cell_angle_alpha   78.021
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.360
_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  0.712  0.686  0.831  1.0
  Li  Li1  1  0.212  0.314  0.169  1.0
  V  V2  1  0.765  0.817  0.291  1.0
  V  V3  1  0.265  0.183  0.709  1.0
  O  O4  1  0.271  0.898  0.809  1.0
  O  O5  1  0.273  0.347  0.880  1.0
  O  O6  1  0.773  0.653  0.120  1.0
  O  O7  1  0.771  0.102  0.191  1.0
  F  F8  1  0.268  0.813  0.330  1.0
  F  F9  1  0.769  0.690  0.560  1.0
  F  F10  1  0.269  0.310  0.440  1.0
  F  F11  1  0.768  0.187  0.670  1.0
[/CIF]
.