The crystal structure described by Li2VO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with five equivalent Li(2)O4F2 octahedra, and edges with six equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with five equivalent Li(1)O2F4 octahedra, and edges with five equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O2F4 octahedra, edges with five equivalent Li(2)O4F2 octahedra, and edges with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(2)Li2V4 octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li6 octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with five equivalent O(2)Li2V4 octahedra, and edges with five equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the second O site, O(2) is bonded to two equivalent Li(2) and four equivalent V(1) atoms to form OLi2V4 octahedra that share corners with two equivalent O(2)Li2V4 octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one F(1)Li6 octahedra, edges with five equivalent O(1)Li4V2 octahedra, and edges with six equivalent O(2)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. F(1) is bonded to two equivalent Li(2) and four equivalent Li(1) atoms to form FLi6 octahedra that share corners with two equivalent O(2)Li2V4 octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(2)Li2V4 octahedra, edges with five equivalent O(1)Li4V2 octahedra, and edges with six equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF card [CIF]
data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.962
_cell_length_b   4.163
_cell_length_c   8.983
_cell_angle_alpha   89.882
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.746
_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
  F  F0  1  0.500  0.999  0.505  1.0
  F  F1  1  0.000  0.501  0.661  1.0
  Li  Li2  1  1.000  0.001  0.667  1.0
  Li  Li3  1  0.500  0.499  0.499  1.0
  Li  Li4  1  0.000  0.003  0.355  1.0
  Li  Li5  1  0.500  0.497  0.812  1.0
  O  O6  1  0.500  0.000  0.840  1.0
  O  O7  1  1.000  0.500  0.327  1.0
  O  O8  1  0.500  0.004  0.153  1.0
  O  O9  1  1.000  0.496  0.014  1.0
  V  V10  1  0.000  0.993  0.988  1.0
  V  V11  1  0.500  0.507  0.178  1.0
[/CIF]
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The crystal structure described by Li2VO2F is Caswellsilverite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with five equivalent Li(2)O4F2 octahedra, and edges with six equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Li(2)O4F2 octahedra, edges with five equivalent Li(1)O2F4 octahedra, and edges with five equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O2F4 octahedra, edges with five equivalent Li(2)O4F2 octahedra, and edges with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent V(1) atoms to form OLi4V2 octahedra that share corners with two equivalent O(2)Li2V4 octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li6 octahedra, edges with two equivalent O(1)Li4V2 octahedra, edges with five equivalent O(2)Li2V4 octahedra, and edges with five equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the second O site, O(2) is bonded to two equivalent Li(2) and four equivalent V(1) atoms to form OLi2V4 octahedra that share corners with two equivalent O(2)Li2V4 octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one F(1)Li6 octahedra, edges with five equivalent O(1)Li4V2 octahedra, and edges with six equivalent O(2)Li2V4 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. F(1) is bonded to two equivalent Li(2) and four equivalent Li(1) atoms to form FLi6 octahedra that share corners with two equivalent O(2)Li2V4 octahedra, corners with two equivalent O(1)Li4V2 octahedra, corners with two equivalent F(1)Li6 octahedra,  an edgeedge with one O(2)Li2V4 octahedra, edges with five equivalent O(1)Li4V2 octahedra, and edges with six equivalent F(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF card [CIF]
data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.962
_cell_length_b   4.163
_cell_length_c   8.983
_cell_angle_alpha   89.882
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.746
_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
  F  F0  1  0.500  0.999  0.505  1.0
  F  F1  1  0.000  0.501  0.661  1.0
  Li  Li2  1  1.000  0.001  0.667  1.0
  Li  Li3  1  0.500  0.499  0.499  1.0
  Li  Li4  1  0.000  0.003  0.355  1.0
  Li  Li5  1  0.500  0.497  0.812  1.0
  O  O6  1  0.500  0.000  0.840  1.0
  O  O7  1  1.000  0.500  0.327  1.0
  O  O8  1  0.500  0.004  0.153  1.0
  O  O9  1  1.000  0.496  0.014  1.0
  V  V10  1  0.000  0.993  0.988  1.0
  V  V11  1  0.500  0.507  0.178  1.0
[/CIF]
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