The structure described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(2), one F(1), and one F(2) atom to form a mixture of distorted corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth V site, V(4) is bonded to one O(2), one O(4), two equivalent O(1), one F(1), and one F(2) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. is represented by the CIF file [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   5.591
_cell_length_c   7.304
_cell_angle_alpha   72.892
_cell_angle_beta   72.083
_cell_angle_gamma   72.543
_symmetry_Int_Tables_number   1
_cell_volume   201.772
_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  0.500  0.500  0.500  1.0
  V  V1  1  0.203  0.132  0.352  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.151  0.145  0.834  1.0
  V  V4  1  0.849  0.855  0.166  1.0
  V  V5  1  0.797  0.868  0.648  1.0
  O  O6  1  0.196  0.793  0.002  1.0
  O  O7  1  0.064  0.056  0.626  1.0
  O  O8  1  0.392  0.390  0.305  1.0
  O  O9  1  0.936  0.944  0.374  1.0
  O  O10  1  0.608  0.610  0.695  1.0
  O  O11  1  0.476  0.861  0.329  1.0
  O  O12  1  0.804  0.207  0.998  1.0
  O  O13  1  0.524  0.139  0.671  1.0
  F  F14  1  0.878  0.464  0.328  1.0
  F  F15  1  0.738  0.744  0.956  1.0
  F  F16  1  0.262  0.256  0.044  1.0
  F  F17  1  0.122  0.536  0.672  1.0
[/CIF]
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The structure described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(2), one F(1), and one F(2) atom to form a mixture of distorted corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth V site, V(4) is bonded to one O(2), one O(4), two equivalent O(1), one F(1), and one F(2) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. is represented by the CIF file [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   5.591
_cell_length_c   7.304
_cell_angle_alpha   72.892
_cell_angle_beta   72.083
_cell_angle_gamma   72.543
_symmetry_Int_Tables_number   1
_cell_volume   201.772
_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  0.500  0.500  0.500  1.0
  V  V1  1  0.203  0.132  0.352  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.151  0.145  0.834  1.0
  V  V4  1  0.849  0.855  0.166  1.0
  V  V5  1  0.797  0.868  0.648  1.0
  O  O6  1  0.196  0.793  0.002  1.0
  O  O7  1  0.064  0.056  0.626  1.0
  O  O8  1  0.392  0.390  0.305  1.0
  O  O9  1  0.936  0.944  0.374  1.0
  O  O10  1  0.608  0.610  0.695  1.0
  O  O11  1  0.476  0.861  0.329  1.0
  O  O12  1  0.804  0.207  0.998  1.0
  O  O13  1  0.524  0.139  0.671  1.0
  F  F14  1  0.878  0.464  0.328  1.0
  F  F15  1  0.738  0.744  0.956  1.0
  F  F16  1  0.262  0.256  0.044  1.0
  F  F17  1  0.122  0.536  0.672  1.0
[/CIF]
.