The material described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(8), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), one O(7), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one O(6), one F(3), and one F(4) atom to form a mixture of distorted corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(7), one O(8), 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 42-54°. In the fifth V site, V(5) is bonded to one O(1), one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the sixth V site, V(6) is bonded to one O(2), one O(3), one O(7), one O(8), 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 44-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) 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(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. is represented by the CIF file [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   9.182
_cell_length_c   4.705
_cell_angle_alpha   91.102
_cell_angle_beta   90.165
_cell_angle_gamma   89.533
_symmetry_Int_Tables_number   1
_cell_volume   202.022
_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  0.999  0.001  0.997  1.0
  V  V1  1  0.500  0.500  0.499  1.0
  V  V2  1  0.531  0.845  0.458  1.0
  V  V3  1  0.977  0.346  0.964  1.0
  V  V4  1  0.031  0.658  0.024  1.0
  V  V5  1  0.476  0.162  0.533  1.0
  O  O6  1  0.809  0.486  0.194  1.0
  O  O7  1  0.303  0.996  0.307  1.0
  O  O8  1  0.689  0.994  0.705  1.0
  O  O9  1  0.194  0.497  0.796  1.0
  O  O10  1  0.809  0.831  0.198  1.0
  O  O11  1  0.323  0.672  0.314  1.0
  O  O12  1  0.688  0.333  0.689  1.0
  O  O13  1  0.172  0.175  0.823  1.0
  F  F14  1  0.781  0.170  0.203  1.0
  F  F15  1  0.288  0.332  0.296  1.0
  F  F16  1  0.712  0.673  0.703  1.0
  F  F17  1  0.218  0.829  0.797  1.0
[/CIF]
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The material described by V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(8), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), one O(7), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one O(6), one F(3), and one F(4) atom to form a mixture of distorted corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(7), one O(8), 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 42-54°. In the fifth V site, V(5) is bonded to one O(1), one O(4), one O(5), one O(6), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the sixth V site, V(6) is bonded to one O(2), one O(3), one O(7), one O(8), 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 44-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) 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(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(5) atom. is represented by the CIF file [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   9.182
_cell_length_c   4.705
_cell_angle_alpha   91.102
_cell_angle_beta   90.165
_cell_angle_gamma   89.533
_symmetry_Int_Tables_number   1
_cell_volume   202.022
_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  0.999  0.001  0.997  1.0
  V  V1  1  0.500  0.500  0.499  1.0
  V  V2  1  0.531  0.845  0.458  1.0
  V  V3  1  0.977  0.346  0.964  1.0
  V  V4  1  0.031  0.658  0.024  1.0
  V  V5  1  0.476  0.162  0.533  1.0
  O  O6  1  0.809  0.486  0.194  1.0
  O  O7  1  0.303  0.996  0.307  1.0
  O  O8  1  0.689  0.994  0.705  1.0
  O  O9  1  0.194  0.497  0.796  1.0
  O  O10  1  0.809  0.831  0.198  1.0
  O  O11  1  0.323  0.672  0.314  1.0
  O  O12  1  0.688  0.333  0.689  1.0
  O  O13  1  0.172  0.175  0.823  1.0
  F  F14  1  0.781  0.170  0.203  1.0
  F  F15  1  0.288  0.332  0.296  1.0
  F  F16  1  0.712  0.673  0.703  1.0
  F  F17  1  0.218  0.829  0.797  1.0
[/CIF]
.