The compound described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one 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 45-56°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one 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 44-56°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), 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 44-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted 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(3) 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(3) atom. 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(3) atom. is represented by the CIF file [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.668
_cell_length_b   9.237
_cell_length_c   4.677
_cell_angle_alpha   90.398
_cell_angle_beta   89.991
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   201.635
_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  0.498  0.502  0.493  1.0
  V  V1  1  0.022  0.659  0.030  1.0
  V  V2  1  0.528  0.845  0.457  1.0
  V  V3  1  0.002  0.002  0.993  1.0
  V  V4  1  0.973  0.345  0.957  1.0
  V  V5  1  0.477  0.159  0.530  1.0
  O  O6  1  0.808  0.495  0.201  1.0
  O  O7  1  0.303  0.995  0.303  1.0
  O  O8  1  0.692  0.995  0.701  1.0
  O  O9  1  0.197  0.495  0.803  1.0
  O  O10  1  0.807  0.832  0.201  1.0
  O  O11  1  0.318  0.672  0.315  1.0
  O  O12  1  0.694  0.332  0.701  1.0
  O  O13  1  0.183  0.172  0.815  1.0
  F  F14  1  0.792  0.172  0.203  1.0
  F  F15  1  0.286  0.329  0.296  1.0
  F  F16  1  0.708  0.672  0.703  1.0
  F  F17  1  0.213  0.829  0.796  1.0
[/CIF]
.
The compound described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one 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 45-56°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one 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 44-56°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), 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 44-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted 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(3) 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(3) atom. 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(3) atom. is represented by the CIF file [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.668
_cell_length_b   9.237
_cell_length_c   4.677
_cell_angle_alpha   90.398
_cell_angle_beta   89.991
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   201.635
_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  0.498  0.502  0.493  1.0
  V  V1  1  0.022  0.659  0.030  1.0
  V  V2  1  0.528  0.845  0.457  1.0
  V  V3  1  0.002  0.002  0.993  1.0
  V  V4  1  0.973  0.345  0.957  1.0
  V  V5  1  0.477  0.159  0.530  1.0
  O  O6  1  0.808  0.495  0.201  1.0
  O  O7  1  0.303  0.995  0.303  1.0
  O  O8  1  0.692  0.995  0.701  1.0
  O  O9  1  0.197  0.495  0.803  1.0
  O  O10  1  0.807  0.832  0.201  1.0
  O  O11  1  0.318  0.672  0.315  1.0
  O  O12  1  0.694  0.332  0.701  1.0
  O  O13  1  0.183  0.172  0.815  1.0
  F  F14  1  0.792  0.172  0.203  1.0
  F  F15  1  0.286  0.329  0.296  1.0
  F  F16  1  0.708  0.672  0.703  1.0
  F  F17  1  0.213  0.829  0.796  1.0
[/CIF]
.