The compound described by LiV(OF)2 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form distorted LiO2F4 octahedra that share corners with four equivalent V(1)O4F2 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. V(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form distorted VO4F2 octahedra that share corners with four equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. O(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. F(1) is bonded in a T-shaped geometry to two equivalent 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   5.505
_cell_length_b   5.298
_cell_length_c   5.367
_cell_angle_alpha   61.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.141
_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  0.595  0.250  0.500  1.0
  Li  Li1  1  0.405  0.750  0.500  1.0
  V  V2  1  0.901  0.250  0.000  1.0
  V  V3  1  0.099  0.750  0.000  1.0
  O  O4  1  0.890  0.027  0.800  1.0
  O  O5  1  0.890  0.473  0.200  1.0
  O  O6  1  0.110  0.527  0.800  1.0
  O  O7  1  0.110  0.973  0.200  1.0
  F  F8  1  0.641  0.055  0.263  1.0
  F  F9  1  0.359  0.555  0.263  1.0
  F  F10  1  0.641  0.445  0.737  1.0
  F  F11  1  0.359  0.945  0.737  1.0
[/CIF]
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The compound described by LiV(OF)2 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form distorted LiO2F4 octahedra that share corners with four equivalent V(1)O4F2 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. V(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form distorted VO4F2 octahedra that share corners with four equivalent Li(1)O2F4 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. O(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent V(1) atoms. F(1) is bonded in a T-shaped geometry to two equivalent 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   5.505
_cell_length_b   5.298
_cell_length_c   5.367
_cell_angle_alpha   61.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.141
_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  0.595  0.250  0.500  1.0
  Li  Li1  1  0.405  0.750  0.500  1.0
  V  V2  1  0.901  0.250  0.000  1.0
  V  V3  1  0.099  0.750  0.000  1.0
  O  O4  1  0.890  0.027  0.800  1.0
  O  O5  1  0.890  0.473  0.200  1.0
  O  O6  1  0.110  0.527  0.800  1.0
  O  O7  1  0.110  0.973  0.200  1.0
  F  F8  1  0.641  0.055  0.263  1.0
  F  F9  1  0.359  0.555  0.263  1.0
  F  F10  1  0.641  0.445  0.737  1.0
  F  F11  1  0.359  0.945  0.737  1.0
[/CIF]
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