The crystal 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(4), one O(5), one O(6), one O(8), one F(1), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(4)O3F3 octahedra,  an edgeedge with one V(2)O5F octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one F(3) atom to form VO5F octahedra that share corners with two equivalent V(4)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(4)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(5)O4F2 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O5F octahedra, corners with two equivalent V(3)O5F octahedra, corners with four equivalent V(1)O4F2 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(5), one O(7), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(2)O5F octahedra, corners with four equivalent V(3)O5F octahedra,  an edgeedge with one V(4)O3F3 octahedra, and  an edgeedge with one V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the sixth V site, V(6) is bonded to one O(2), one O(3), one O(8), one F(1), one F(2), and one F(3) atom to form VO3F3 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(3)O5F octahedra, corners with four equivalent V(2)O5F octahedra,  an edgeedge with one V(4)O3F3 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), 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(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(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(1), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(2), 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 T-shaped geometry to one V(3), one V(5), 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(4), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) 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   4.694
_cell_length_b   5.634
_cell_length_c   7.665
_cell_angle_alpha   85.595
_cell_angle_beta   87.182
_cell_angle_gamma   87.168
_symmetry_Int_Tables_number   1
_cell_volume   201.638
_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  0.495  0.829  0.666  1.0
  V  V1  1  0.524  0.518  0.008  1.0
  V  V2  1  0.518  0.182  0.337  1.0
  V  V3  1  0.995  0.327  0.659  1.0
  V  V4  1  0.970  0.652  0.326  1.0
  V  V5  1  0.994  0.992  0.004  1.0
  O  O6  1  0.806  0.374  0.433  1.0
  O  O7  1  0.800  0.702  0.105  1.0
  O  O8  1  0.698  0.210  0.097  1.0
  O  O9  1  0.690  0.526  0.777  1.0
  O  O10  1  0.714  0.859  0.432  1.0
  O  O11  1  0.308  0.129  0.568  1.0
  O  O12  1  0.298  0.484  0.225  1.0
  O  O13  1  0.302  0.798  0.901  1.0
  F  F14  1  0.803  0.027  0.766  1.0
  F  F15  1  0.199  0.966  0.236  1.0
  F  F16  1  0.193  0.295  0.898  1.0
  F  F17  1  0.193  0.630  0.561  1.0
[/CIF]
.
The crystal 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(4), one O(5), one O(6), one O(8), one F(1), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(4)O3F3 octahedra,  an edgeedge with one V(2)O5F octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one F(3) atom to form VO5F octahedra that share corners with two equivalent V(4)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(4)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra, corners with four equivalent V(5)O4F2 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O5F octahedra, corners with two equivalent V(3)O5F octahedra, corners with four equivalent V(1)O4F2 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(5), one O(7), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(2)O5F octahedra, corners with four equivalent V(3)O5F octahedra,  an edgeedge with one V(4)O3F3 octahedra, and  an edgeedge with one V(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the sixth V site, V(6) is bonded to one O(2), one O(3), one O(8), one F(1), one F(2), and one F(3) atom to form VO3F3 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(3)O5F octahedra, corners with four equivalent V(2)O5F octahedra,  an edgeedge with one V(4)O3F3 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(5), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), 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(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(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(1), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(2), 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 T-shaped geometry to one V(3), one V(5), 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(4), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one V(5) 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   4.694
_cell_length_b   5.634
_cell_length_c   7.665
_cell_angle_alpha   85.595
_cell_angle_beta   87.182
_cell_angle_gamma   87.168
_symmetry_Int_Tables_number   1
_cell_volume   201.638
_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  0.495  0.829  0.666  1.0
  V  V1  1  0.524  0.518  0.008  1.0
  V  V2  1  0.518  0.182  0.337  1.0
  V  V3  1  0.995  0.327  0.659  1.0
  V  V4  1  0.970  0.652  0.326  1.0
  V  V5  1  0.994  0.992  0.004  1.0
  O  O6  1  0.806  0.374  0.433  1.0
  O  O7  1  0.800  0.702  0.105  1.0
  O  O8  1  0.698  0.210  0.097  1.0
  O  O9  1  0.690  0.526  0.777  1.0
  O  O10  1  0.714  0.859  0.432  1.0
  O  O11  1  0.308  0.129  0.568  1.0
  O  O12  1  0.298  0.484  0.225  1.0
  O  O13  1  0.302  0.798  0.901  1.0
  F  F14  1  0.803  0.027  0.766  1.0
  F  F15  1  0.199  0.966  0.236  1.0
  F  F16  1  0.193  0.295  0.898  1.0
  F  F17  1  0.193  0.630  0.561  1.0
[/CIF]
.