The crystal structure described by VOF2 crystallizes in the triclinic P1 space group. V(1,2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. 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(1,2) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1,2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. is represented by the CIF file [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   5.114
_cell_length_c   5.285
_cell_angle_alpha   61.393
_cell_angle_beta   61.344
_cell_angle_gamma   60.602
_symmetry_Int_Tables_number   1
_cell_volume   100.113
_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  0.282  0.657  0.218  1.0
  F  F1  1  0.860  0.240  0.261  1.0
  F  F2  1  0.156  0.781  0.719  1.0
  F  F3  1  0.739  0.359  0.762  1.0
  O  O4  1  0.685  0.829  0.247  1.0
  O  O5  1  0.329  0.185  0.744  1.0
  V  V6  1  0.965  0.984  0.025  1.0
  V  V7  1  0.484  0.465  0.525  1.0
[/CIF]
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The crystal structure described by VOF2 crystallizes in the triclinic P1 space group. V(1,2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. 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(1,2) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1,2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(1,2) atoms. is represented by the CIF file [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   5.114
_cell_length_c   5.285
_cell_angle_alpha   61.393
_cell_angle_beta   61.344
_cell_angle_gamma   60.602
_symmetry_Int_Tables_number   1
_cell_volume   100.113
_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  0.282  0.657  0.218  1.0
  F  F1  1  0.860  0.240  0.261  1.0
  F  F2  1  0.156  0.781  0.719  1.0
  F  F3  1  0.739  0.359  0.762  1.0
  O  O4  1  0.685  0.829  0.247  1.0
  O  O5  1  0.329  0.185  0.744  1.0
  V  V6  1  0.965  0.984  0.025  1.0
  V  V7  1  0.484  0.465  0.525  1.0
[/CIF]
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