The material described by Li2VO2F is beta Polonium-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with five equivalent V(1)O4F2 octahedra, and edges with seven equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. V(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra, and edges with ten equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. O(1) is bonded to four equivalent Li(1) and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent F(1)Li4V2 octahedra, corners with four equivalent O(1)Li4V2 octahedra, edges with five equivalent F(1)Li4V2 octahedra, and edges with seven equivalent O(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. F(1) is bonded to four equivalent Li(1) and two equivalent V(1) atoms to form FLi4V2 octahedra that share corners with two equivalent F(1)Li4V2 octahedra, corners with four equivalent O(1)Li4V2 octahedra, edges with two equivalent F(1)Li4V2 octahedra, and edges with ten equivalent O(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   5.235
_cell_length_c   5.235
_cell_angle_alpha   147.521
_cell_angle_beta   132.701
_cell_angle_gamma   58.549
_symmetry_Int_Tables_number   1
_cell_volume   56.156
_cell_formula_units_Z   1
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  0.691  0.691  0.000  1.0
  Li  Li1  1  0.309  0.309  0.000  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.849  0.349  0.500  1.0
  O  O4  1  0.151  0.651  0.500  1.0
  F  F5  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by Li2VO2F is beta Polonium-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with five equivalent V(1)O4F2 octahedra, and edges with seven equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. V(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent Li(1)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra, and edges with ten equivalent Li(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. O(1) is bonded to four equivalent Li(1) and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent F(1)Li4V2 octahedra, corners with four equivalent O(1)Li4V2 octahedra, edges with five equivalent F(1)Li4V2 octahedra, and edges with seven equivalent O(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. F(1) is bonded to four equivalent Li(1) and two equivalent V(1) atoms to form FLi4V2 octahedra that share corners with two equivalent F(1)Li4V2 octahedra, corners with four equivalent O(1)Li4V2 octahedra, edges with two equivalent F(1)Li4V2 octahedra, and edges with ten equivalent O(1)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.235
_cell_length_b   5.235
_cell_length_c   5.235
_cell_angle_alpha   147.521
_cell_angle_beta   132.701
_cell_angle_gamma   58.549
_symmetry_Int_Tables_number   1
_cell_volume   56.156
_cell_formula_units_Z   1
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  0.691  0.691  0.000  1.0
  Li  Li1  1  0.309  0.309  0.000  1.0
  V  V2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.849  0.349  0.500  1.0
  O  O4  1  0.151  0.651  0.500  1.0
  F  F5  1  0.500  0.000  0.500  1.0
[/CIF]
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