The material structure described by V2O2F3 crystallizes in the monoclinic Cc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-57°. In the second V site, V(2) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_V2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   5.602
_cell_length_c   7.260
_cell_angle_alpha   71.355
_cell_angle_beta   71.355
_cell_angle_gamma   54.535
_symmetry_Int_Tables_number   1
_cell_volume   173.147
_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
  V  V0  1  0.312  0.288  0.878  1.0
  V  V1  1  0.717  0.696  0.619  1.0
  V  V2  1  0.288  0.312  0.378  1.0
  V  V3  1  0.696  0.717  0.119  1.0
  O  O4  1  0.548  0.876  0.853  1.0
  O  O5  1  0.876  0.548  0.353  1.0
  O  O6  1  0.098  0.476  0.641  1.0
  O  O7  1  0.476  0.098  0.141  1.0
  F  F8  1  0.062  0.698  0.961  1.0
  F  F9  1  0.698  0.062  0.461  1.0
  F  F10  1  0.615  0.392  0.749  1.0
  F  F11  1  0.392  0.615  0.249  1.0
  F  F12  1  0.314  0.939  0.541  1.0
  F  F13  1  0.939  0.314  0.041  1.0
[/CIF]
.
The material structure described by V2O2F3 crystallizes in the monoclinic Cc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-57°. In the second V site, V(2) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form a mixture of edge and corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a water-like geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_V2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   5.602
_cell_length_c   7.260
_cell_angle_alpha   71.355
_cell_angle_beta   71.355
_cell_angle_gamma   54.535
_symmetry_Int_Tables_number   1
_cell_volume   173.147
_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
  V  V0  1  0.312  0.288  0.878  1.0
  V  V1  1  0.717  0.696  0.619  1.0
  V  V2  1  0.288  0.312  0.378  1.0
  V  V3  1  0.696  0.717  0.119  1.0
  O  O4  1  0.548  0.876  0.853  1.0
  O  O5  1  0.876  0.548  0.353  1.0
  O  O6  1  0.098  0.476  0.641  1.0
  O  O7  1  0.476  0.098  0.141  1.0
  F  F8  1  0.062  0.698  0.961  1.0
  F  F9  1  0.698  0.062  0.461  1.0
  F  F10  1  0.615  0.392  0.749  1.0
  F  F11  1  0.392  0.615  0.249  1.0
  F  F12  1  0.314  0.939  0.541  1.0
  F  F13  1  0.939  0.314  0.041  1.0
[/CIF]
.