The material structure 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(1), one O(2), one O(3), one O(4), 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 50-54°. 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(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third V site, V(3) is bonded to one O(3), one O(6), 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 43-53°. In the fourth V site, V(4) is bonded to one O(4), one O(5), 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 43-53°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(6), one O(7), 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 44-53°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one O(6), one O(8), 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 44-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) 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 trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3), 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 T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(5), and one V(6) atom. is represented by the CIF card [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   7.704
_cell_length_c   5.626
_cell_angle_alpha   94.116
_cell_angle_beta   89.958
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   202.166
_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  0.501  0.334  0.832  1.0
  V  V1  1  1.000  0.332  0.332  1.0
  V  V2  1  0.447  0.989  0.506  1.0
  V  V3  1  0.029  0.001  0.008  1.0
  V  V4  1  0.552  0.677  0.163  1.0
  V  V5  1  0.970  0.666  0.660  1.0
  O  O6  1  0.812  0.436  0.631  1.0
  O  O7  1  0.689  0.444  0.134  1.0
  O  O8  1  0.311  0.223  0.531  1.0
  O  O9  1  0.190  0.232  0.032  1.0
  O  O10  1  0.792  0.773  0.966  1.0
  O  O11  1  0.697  0.772  0.456  1.0
  O  O12  1  0.302  0.895  0.212  1.0
  O  O13  1  0.208  0.894  0.702  1.0
  F  F14  1  0.791  0.094  0.307  1.0
  F  F15  1  0.701  0.092  0.795  1.0
  F  F16  1  0.300  0.575  0.872  1.0
  F  F17  1  0.208  0.572  0.360  1.0
[/CIF]
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The material structure 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(1), one O(2), one O(3), one O(4), 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 50-54°. 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(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third V site, V(3) is bonded to one O(3), one O(6), 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 43-53°. In the fourth V site, V(4) is bonded to one O(4), one O(5), 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 43-53°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(6), one O(7), 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 44-53°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one O(6), one O(8), 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 44-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) 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 trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3), 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 T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(5), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(5), and one V(6) atom. is represented by the CIF card [CIF]
data_V3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.677
_cell_length_b   7.704
_cell_length_c   5.626
_cell_angle_alpha   94.116
_cell_angle_beta   89.958
_cell_angle_gamma   90.068
_symmetry_Int_Tables_number   1
_cell_volume   202.166
_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  0.501  0.334  0.832  1.0
  V  V1  1  1.000  0.332  0.332  1.0
  V  V2  1  0.447  0.989  0.506  1.0
  V  V3  1  0.029  0.001  0.008  1.0
  V  V4  1  0.552  0.677  0.163  1.0
  V  V5  1  0.970  0.666  0.660  1.0
  O  O6  1  0.812  0.436  0.631  1.0
  O  O7  1  0.689  0.444  0.134  1.0
  O  O8  1  0.311  0.223  0.531  1.0
  O  O9  1  0.190  0.232  0.032  1.0
  O  O10  1  0.792  0.773  0.966  1.0
  O  O11  1  0.697  0.772  0.456  1.0
  O  O12  1  0.302  0.895  0.212  1.0
  O  O13  1  0.208  0.894  0.702  1.0
  F  F14  1  0.791  0.094  0.307  1.0
  F  F15  1  0.701  0.092  0.795  1.0
  F  F16  1  0.300  0.575  0.872  1.0
  F  F17  1  0.208  0.572  0.360  1.0
[/CIF]
.