The crystal 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 one O(2), one O(3), two equivalent O(4), 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 44-53°. In the second V site, V(2) 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 44-54°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one 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 45-54°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(2), 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 44-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. 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 distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.660
_cell_length_b   5.545
_cell_length_c   7.730
_cell_angle_alpha   94.362
_cell_angle_beta   90.618
_cell_angle_gamma   90.164
_symmetry_Int_Tables_number   1
_cell_volume   199.146
_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  0.460  0.851  0.348  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.540  0.149  0.652  1.0
  V  V3  1  0.000  0.332  0.317  1.0
  V  V4  1  1.000  0.668  0.683  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.208  0.697  0.913  1.0
  O  O7  1  0.200  0.037  0.226  1.0
  O  O8  1  0.312  0.540  0.234  1.0
  O  O9  1  0.294  0.867  0.574  1.0
  O  O10  1  0.706  0.133  0.426  1.0
  O  O11  1  0.688  0.460  0.766  1.0
  O  O12  1  0.800  0.963  0.774  1.0
  O  O13  1  0.792  0.303  0.087  1.0
  F  F14  1  0.199  0.361  0.562  1.0
  F  F15  1  0.302  0.204  0.890  1.0
  F  F16  1  0.698  0.796  0.110  1.0
  F  F17  1  0.801  0.639  0.438  1.0
[/CIF]
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The crystal 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 one O(2), one O(3), two equivalent O(4), 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 44-53°. In the second V site, V(2) 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 44-54°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one 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 45-54°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(2), 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 44-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. 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 distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.660
_cell_length_b   5.545
_cell_length_c   7.730
_cell_angle_alpha   94.362
_cell_angle_beta   90.618
_cell_angle_gamma   90.164
_symmetry_Int_Tables_number   1
_cell_volume   199.146
_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  0.460  0.851  0.348  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.540  0.149  0.652  1.0
  V  V3  1  0.000  0.332  0.317  1.0
  V  V4  1  1.000  0.668  0.683  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.208  0.697  0.913  1.0
  O  O7  1  0.200  0.037  0.226  1.0
  O  O8  1  0.312  0.540  0.234  1.0
  O  O9  1  0.294  0.867  0.574  1.0
  O  O10  1  0.706  0.133  0.426  1.0
  O  O11  1  0.688  0.460  0.766  1.0
  O  O12  1  0.800  0.963  0.774  1.0
  O  O13  1  0.792  0.303  0.087  1.0
  F  F14  1  0.199  0.361  0.562  1.0
  F  F15  1  0.302  0.204  0.890  1.0
  F  F16  1  0.698  0.796  0.110  1.0
  F  F17  1  0.801  0.639  0.438  1.0
[/CIF]
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