The material structure described by LiV(OF)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), two equivalent F(1), and three equivalent F(2) atoms to form edge-sharing LiOF5 octahedra. V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), one F(1), and one F(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 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 trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.523
_cell_length_b   6.252
_cell_length_c   6.783
_cell_angle_alpha   70.222
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.602
_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  0.755  0.350  0.202  1.0
  Li  Li1  1  0.255  0.650  0.798  1.0
  V  V2  1  0.755  0.143  0.772  1.0
  V  V3  1  0.255  0.857  0.228  1.0
  O  O4  1  0.261  0.095  0.852  1.0
  O  O5  1  0.755  0.293  0.524  1.0
  O  O6  1  0.255  0.707  0.476  1.0
  O  O7  1  0.761  0.905  0.148  1.0
  F  F8  1  0.265  0.152  0.249  1.0
  F  F9  1  0.268  0.611  0.114  1.0
  F  F10  1  0.768  0.389  0.886  1.0
  F  F11  1  0.765  0.848  0.751  1.0
[/CIF]
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The material structure described by LiV(OF)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), two equivalent F(1), and three equivalent F(2) atoms to form edge-sharing LiOF5 octahedra. V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), one F(1), and one F(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 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 trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li(1) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.523
_cell_length_b   6.252
_cell_length_c   6.783
_cell_angle_alpha   70.222
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.602
_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  0.755  0.350  0.202  1.0
  Li  Li1  1  0.255  0.650  0.798  1.0
  V  V2  1  0.755  0.143  0.772  1.0
  V  V3  1  0.255  0.857  0.228  1.0
  O  O4  1  0.261  0.095  0.852  1.0
  O  O5  1  0.755  0.293  0.524  1.0
  O  O6  1  0.255  0.707  0.476  1.0
  O  O7  1  0.761  0.905  0.148  1.0
  F  F8  1  0.265  0.152  0.249  1.0
  F  F9  1  0.268  0.611  0.114  1.0
  F  F10  1  0.768  0.389  0.886  1.0
  F  F11  1  0.765  0.848  0.751  1.0
[/CIF]
.