The material structure described by V2O3F2 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), one F(1), and one F(2) atom to form distorted VO3F2 trigonal bipyramids that share corners with five equivalent V(2)O4F2 octahedra and  an edgeedge with one V(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-59°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with five equivalent V(1)O3F2 trigonal bipyramids and  an edgeedge with one V(2)O4F2 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent V(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_V2O3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.671
_cell_length_c   6.708
_cell_angle_alpha   103.836
_cell_angle_beta   108.599
_cell_angle_gamma   97.418
_symmetry_Int_Tables_number   1
_cell_volume   174.081
_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  0.806  0.339  0.776  1.0
  V  V1  1  0.586  0.213  0.179  1.0
  V  V2  1  0.414  0.787  0.821  1.0
  V  V3  1  0.194  0.661  0.224  1.0
  O  O4  1  0.867  0.389  0.090  1.0
  O  O5  1  0.686  0.888  0.076  1.0
  O  O6  1  0.472  0.523  0.288  1.0
  O  O7  1  0.528  0.477  0.712  1.0
  O  O8  1  0.314  0.112  0.924  1.0
  O  O9  1  0.133  0.611  0.910  1.0
  F  F10  1  0.858  0.261  0.486  1.0
  F  F11  1  0.676  0.981  0.706  1.0
  F  F12  1  0.324  0.019  0.294  1.0
  F  F13  1  0.142  0.739  0.514  1.0
[/CIF]
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The material structure described by V2O3F2 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), one F(1), and one F(2) atom to form distorted VO3F2 trigonal bipyramids that share corners with five equivalent V(2)O4F2 octahedra and  an edgeedge with one V(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-59°. In the second V site, V(2) is bonded to one O(1), one O(3), two equivalent O(2), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with five equivalent V(1)O3F2 trigonal bipyramids and  an edgeedge with one V(2)O4F2 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent V(2) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_V2O3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   5.671
_cell_length_c   6.708
_cell_angle_alpha   103.836
_cell_angle_beta   108.599
_cell_angle_gamma   97.418
_symmetry_Int_Tables_number   1
_cell_volume   174.081
_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  0.806  0.339  0.776  1.0
  V  V1  1  0.586  0.213  0.179  1.0
  V  V2  1  0.414  0.787  0.821  1.0
  V  V3  1  0.194  0.661  0.224  1.0
  O  O4  1  0.867  0.389  0.090  1.0
  O  O5  1  0.686  0.888  0.076  1.0
  O  O6  1  0.472  0.523  0.288  1.0
  O  O7  1  0.528  0.477  0.712  1.0
  O  O8  1  0.314  0.112  0.924  1.0
  O  O9  1  0.133  0.611  0.910  1.0
  F  F10  1  0.858  0.261  0.486  1.0
  F  F11  1  0.676  0.981  0.706  1.0
  F  F12  1  0.324  0.019  0.294  1.0
  F  F13  1  0.142  0.739  0.514  1.0
[/CIF]
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