The material structure described by V3(O2F)2 is beta Vanadium nitride-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(4), one O(5), one O(7), one F(1), and one F(3) atom to form a mixture of distorted corner, face, and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(1), one O(4), one O(5), one O(7), one F(1), and one F(3) atom to form a mixture of distorted corner and face-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and one F(4) atom. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(6), one O(8), one F(2), and one F(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth V site, V(5) is bonded to one O(2), 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 34-49°. In the sixth V site, V(6) is bonded to one O(1), 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 30-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) 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(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(3), one V(4), 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(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the eighth O site, O(8) is bonded in a T-shaped 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 T-shaped geometry to one V(1), one V(2), and one V(6) atom. In the second F site, F(2) is bonded in a distorted water-like geometry to one V(4) and one V(5) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one V(3), one V(4), 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   5.164
_cell_length_b   8.998
_cell_length_c   5.624
_cell_angle_alpha   109.507
_cell_angle_beta   63.991
_cell_angle_gamma   91.009
_symmetry_Int_Tables_number   1
_cell_volume   218.804
_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  0.973  0.690  0.060  1.0
  V  V1  1  0.289  0.584  0.430  1.0
  V  V2  1  0.804  0.098  0.414  1.0
  V  V3  1  0.474  0.178  0.041  1.0
  V  V4  1  0.481  0.833  0.016  1.0
  V  V5  1  0.003  0.337  0.982  1.0
  O  O6  1  0.229  0.379  0.207  1.0
  O  O7  1  0.724  0.887  0.241  1.0
  O  O8  1  0.740  0.211  0.234  1.0
  O  O9  1  0.221  0.714  0.242  1.0
  O  O10  1  0.740  0.546  0.198  1.0
  O  O11  1  0.210  0.040  0.217  1.0
  O  O12  1  0.268  0.745  0.780  1.0
  O  O13  1  0.811  0.231  0.747  1.0
  F  F14  1  0.240  0.460  0.734  1.0
  F  F15  1  0.720  0.953  0.776  1.0
  F  F16  1  0.816  0.643  0.757  1.0
  F  F17  1  0.336  0.143  0.732  1.0
[/CIF]
.
The material structure described by V3(O2F)2 is beta Vanadium nitride-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(4), one O(5), one O(7), one F(1), and one F(3) atom to form a mixture of distorted corner, face, and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(1), one O(4), one O(5), one O(7), one F(1), and one F(3) atom to form a mixture of distorted corner and face-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(8), and one F(4) atom. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(6), one O(8), one F(2), and one F(4) atom to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth V site, V(5) is bonded to one O(2), 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 34-49°. In the sixth V site, V(6) is bonded to one O(1), 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 30-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) 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(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(3), one V(4), 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(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the eighth O site, O(8) is bonded in a T-shaped 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 T-shaped geometry to one V(1), one V(2), and one V(6) atom. In the second F site, F(2) is bonded in a distorted water-like geometry to one V(4) and one V(5) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(5) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one V(3), one V(4), 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   5.164
_cell_length_b   8.998
_cell_length_c   5.624
_cell_angle_alpha   109.507
_cell_angle_beta   63.991
_cell_angle_gamma   91.009
_symmetry_Int_Tables_number   1
_cell_volume   218.804
_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  0.973  0.690  0.060  1.0
  V  V1  1  0.289  0.584  0.430  1.0
  V  V2  1  0.804  0.098  0.414  1.0
  V  V3  1  0.474  0.178  0.041  1.0
  V  V4  1  0.481  0.833  0.016  1.0
  V  V5  1  0.003  0.337  0.982  1.0
  O  O6  1  0.229  0.379  0.207  1.0
  O  O7  1  0.724  0.887  0.241  1.0
  O  O8  1  0.740  0.211  0.234  1.0
  O  O9  1  0.221  0.714  0.242  1.0
  O  O10  1  0.740  0.546  0.198  1.0
  O  O11  1  0.210  0.040  0.217  1.0
  O  O12  1  0.268  0.745  0.780  1.0
  O  O13  1  0.811  0.231  0.747  1.0
  F  F14  1  0.240  0.460  0.734  1.0
  F  F15  1  0.720  0.953  0.776  1.0
  F  F16  1  0.816  0.643  0.757  1.0
  F  F17  1  0.336  0.143  0.732  1.0
[/CIF]
.