The crystal structure described by FVO2 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(10), one O(12), one O(6), one O(8), one F(2), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 11-42°. In the second V site, V(2) is bonded to one O(11), one O(2), one O(5), one O(9), one F(3), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-45°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(5), one O(7), one F(1), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-45°. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(6), one O(7), one F(1), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 11-42°. In the fifth V site, V(5) is bonded to one O(10), one O(3), one O(4), one O(8), one F(2), and one F(5) atom to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the sixth V site, V(6) is bonded to one O(11), one O(3), one O(4), one O(9), one F(3), and one F(5) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(1) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.148
_cell_length_c   13.033
_cell_angle_alpha   91.214
_cell_angle_beta   89.969
_cell_angle_gamma   119.475
_symmetry_Int_Tables_number   1
_cell_volume   297.983
_cell_formula_units_Z   6
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  0.943  0.960  0.504  1.0
  V  V1  1  0.955  0.991  0.998  1.0
  V  V2  1  0.632  0.352  0.168  1.0
  V  V3  1  0.280  0.635  0.335  1.0
  V  V4  1  0.714  0.356  0.667  1.0
  V  V5  1  0.364  0.732  0.831  1.0
  O  O6  1  0.011  0.414  0.250  1.0
  O  O7  1  0.347  0.253  0.085  1.0
  O  O8  1  0.584  0.002  0.747  1.0
  O  O9  1  0.994  0.580  0.752  1.0
  O  O10  1  0.759  0.073  0.082  1.0
  O  O11  1  0.095  0.749  0.416  1.0
  O  O12  1  0.596  0.587  0.251  1.0
  O  O13  1  0.921  0.255  0.586  1.0
  O  O14  1  0.264  0.916  0.916  1.0
  O  O15  1  0.737  0.661  0.582  1.0
  O  O16  1  0.679  0.744  0.914  1.0
  O  O17  1  0.685  0.922  0.417  1.0
  F  F18  1  0.416  0.999  0.250  1.0
  F  F19  1  0.334  0.081  0.584  1.0
  F  F20  1  0.074  0.326  0.918  1.0
  F  F21  1  0.271  0.336  0.416  1.0
  F  F22  1  0.408  0.410  0.749  1.0
  F  F23  1  0.936  0.665  0.084  1.0
[/CIF]
.
The crystal structure described by FVO2 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(10), one O(12), one O(6), one O(8), one F(2), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 11-42°. In the second V site, V(2) is bonded to one O(11), one O(2), one O(5), one O(9), one F(3), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-45°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(5), one O(7), one F(1), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-45°. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(6), one O(7), one F(1), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 11-42°. In the fifth V site, V(5) is bonded to one O(10), one O(3), one O(4), one O(8), one F(2), and one F(5) atom to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-39°. In the sixth V site, V(6) is bonded to one O(11), one O(3), one O(4), one O(9), one F(3), and one F(5) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(1) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.148
_cell_length_c   13.033
_cell_angle_alpha   91.214
_cell_angle_beta   89.969
_cell_angle_gamma   119.475
_symmetry_Int_Tables_number   1
_cell_volume   297.983
_cell_formula_units_Z   6
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  0.943  0.960  0.504  1.0
  V  V1  1  0.955  0.991  0.998  1.0
  V  V2  1  0.632  0.352  0.168  1.0
  V  V3  1  0.280  0.635  0.335  1.0
  V  V4  1  0.714  0.356  0.667  1.0
  V  V5  1  0.364  0.732  0.831  1.0
  O  O6  1  0.011  0.414  0.250  1.0
  O  O7  1  0.347  0.253  0.085  1.0
  O  O8  1  0.584  0.002  0.747  1.0
  O  O9  1  0.994  0.580  0.752  1.0
  O  O10  1  0.759  0.073  0.082  1.0
  O  O11  1  0.095  0.749  0.416  1.0
  O  O12  1  0.596  0.587  0.251  1.0
  O  O13  1  0.921  0.255  0.586  1.0
  O  O14  1  0.264  0.916  0.916  1.0
  O  O15  1  0.737  0.661  0.582  1.0
  O  O16  1  0.679  0.744  0.914  1.0
  O  O17  1  0.685  0.922  0.417  1.0
  F  F18  1  0.416  0.999  0.250  1.0
  F  F19  1  0.334  0.081  0.584  1.0
  F  F20  1  0.074  0.326  0.918  1.0
  F  F21  1  0.271  0.336  0.416  1.0
  F  F22  1  0.408  0.410  0.749  1.0
  F  F23  1  0.936  0.665  0.084  1.0
[/CIF]
.