The material 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(11), one O(12), one O(2), 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 12-43°. In the second V site, V(2) is bonded to one O(10), one O(3), one O(4), one O(7), one F(5), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 17-40°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 17-43°. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(8), one O(9), one F(1), and one F(2) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. In the fifth V site, V(5) is bonded to one O(11), one O(2), one O(5), one O(6), one F(3), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 12-42°. In the sixth V site, V(6) is bonded to one O(10), one O(3), one O(5), one O(6), one F(3), and one F(5) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) 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 bent 150 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(5) 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(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the sixth F site, F(6) is bonded in a distorted linear geometry to one V(2) and one V(3) atom. is represented by the CIF card [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   5.152
_cell_length_c   13.019
_cell_angle_alpha   88.839
_cell_angle_beta   89.233
_cell_angle_gamma   60.847
_symmetry_Int_Tables_number   1
_cell_volume   300.807
_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  0.953  0.075  0.500  1.0
  V  V1  1  0.033  0.933  0.996  1.0
  V  V2  1  0.620  0.681  0.164  1.0
  V  V3  1  0.293  0.328  0.334  1.0
  V  V4  1  0.647  0.715  0.666  1.0
  V  V5  1  0.396  0.300  0.834  1.0
  O  O6  1  0.432  0.587  0.249  1.0
  O  O7  1  0.751  0.908  0.584  1.0
  O  O8  1  0.250  0.660  0.914  1.0
  O  O9  1  0.926  0.754  0.083  1.0
  O  O10  1  0.416  0.990  0.751  1.0
  O  O11  1  0.577  0.411  0.751  1.0
  O  O12  1  0.345  0.919  0.081  1.0
  O  O13  1  0.669  0.256  0.419  1.0
  O  O14  1  0.017  0.413  0.251  1.0
  O  O15  1  0.670  0.081  0.919  1.0
  O  O16  1  0.912  0.332  0.585  1.0
  O  O17  1  0.259  0.080  0.418  1.0
  F  F18  1  0.599  0.003  0.249  1.0
  F  F19  1  0.084  0.660  0.416  1.0
  F  F20  1  0.988  0.584  0.750  1.0
  F  F21  1  0.335  0.738  0.585  1.0
  F  F22  1  0.081  0.249  0.917  1.0
  F  F23  1  0.747  0.343  0.085  1.0
[/CIF]
.
The material 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(11), one O(12), one O(2), 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 12-43°. In the second V site, V(2) is bonded to one O(10), one O(3), one O(4), one O(7), one F(5), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 17-40°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(7), one O(9), one F(1), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 17-43°. In the fourth V site, V(4) is bonded to one O(1), one O(12), one O(8), one O(9), one F(1), and one F(2) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. In the fifth V site, V(5) is bonded to one O(11), one O(2), one O(5), one O(6), one F(3), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 12-42°. In the sixth V site, V(6) is bonded to one O(10), one O(3), one O(5), one O(6), one F(3), and one F(5) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) 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 bent 150 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(5) 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(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the sixth F site, F(6) is bonded in a distorted linear geometry to one V(2) and one V(3) atom. is represented by the CIF card [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   5.152
_cell_length_c   13.019
_cell_angle_alpha   88.839
_cell_angle_beta   89.233
_cell_angle_gamma   60.847
_symmetry_Int_Tables_number   1
_cell_volume   300.807
_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  0.953  0.075  0.500  1.0
  V  V1  1  0.033  0.933  0.996  1.0
  V  V2  1  0.620  0.681  0.164  1.0
  V  V3  1  0.293  0.328  0.334  1.0
  V  V4  1  0.647  0.715  0.666  1.0
  V  V5  1  0.396  0.300  0.834  1.0
  O  O6  1  0.432  0.587  0.249  1.0
  O  O7  1  0.751  0.908  0.584  1.0
  O  O8  1  0.250  0.660  0.914  1.0
  O  O9  1  0.926  0.754  0.083  1.0
  O  O10  1  0.416  0.990  0.751  1.0
  O  O11  1  0.577  0.411  0.751  1.0
  O  O12  1  0.345  0.919  0.081  1.0
  O  O13  1  0.669  0.256  0.419  1.0
  O  O14  1  0.017  0.413  0.251  1.0
  O  O15  1  0.670  0.081  0.919  1.0
  O  O16  1  0.912  0.332  0.585  1.0
  O  O17  1  0.259  0.080  0.418  1.0
  F  F18  1  0.599  0.003  0.249  1.0
  F  F19  1  0.084  0.660  0.416  1.0
  F  F20  1  0.988  0.584  0.750  1.0
  F  F21  1  0.335  0.738  0.585  1.0
  F  F22  1  0.081  0.249  0.917  1.0
  F  F23  1  0.747  0.343  0.085  1.0
[/CIF]
.