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(4), one O(5), one F(5), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(8), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. In the third V site, V(3) is bonded to one O(10), one O(3), one O(6), one O(7), one F(2), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. In the fourth V site, V(4) is bonded to one O(10), one O(11), one O(5), one O(9), one F(5), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. In the fifth V site, V(5) is bonded to one O(1), one O(12), one O(6), one O(7), one F(2), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 16-37°. In the sixth V site, V(6) is bonded to one O(1), one O(2), one O(8), one O(9), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one V(1) and one V(5) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(2) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. is represented by the CIF card [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.318
_cell_length_c   11.586
_cell_angle_alpha   100.877
_cell_angle_beta   102.188
_cell_angle_gamma   90.946
_symmetry_Int_Tables_number   1
_cell_volume   305.900
_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  0.877  0.816  0.679  1.0
  V  V1  1  0.631  0.653  0.345  1.0
  V  V2  1  0.539  0.537  0.012  1.0
  V  V3  1  0.360  0.363  0.685  1.0
  V  V4  1  0.030  0.032  0.019  1.0
  V  V5  1  0.161  0.148  0.352  1.0
  O  O6  1  0.998  0.090  0.162  1.0
  O  O7  1  0.969  0.893  0.355  1.0
  O  O8  1  0.665  0.584  0.159  1.0
  O  O9  1  0.660  0.744  0.493  1.0
  O  O10  1  0.631  0.560  0.693  1.0
  O  O11  1  0.297  0.217  0.022  1.0
  O  O12  1  0.694  0.771  0.967  1.0
  O  O13  1  0.364  0.445  0.303  1.0
  O  O14  1  0.319  0.246  0.495  1.0
  O  O15  1  0.333  0.407  0.829  1.0
  O  O16  1  0.106  0.602  0.638  1.0
  O  O17  1  0.992  0.910  0.826  1.0
  F  F18  1  0.886  0.391  0.359  1.0
  F  F19  1  0.773  0.272  0.964  1.0
  F  F20  1  0.446  0.949  0.299  1.0
  F  F21  1  0.215  0.715  0.027  1.0
  F  F22  1  0.540  0.050  0.685  1.0
  F  F23  1  0.013  0.107  0.633  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(4), one O(5), one F(5), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(8), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. In the third V site, V(3) is bonded to one O(10), one O(3), one O(6), one O(7), one F(2), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. In the fourth V site, V(4) is bonded to one O(10), one O(11), one O(5), one O(9), one F(5), and one F(6) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. In the fifth V site, V(5) is bonded to one O(1), one O(12), one O(6), one O(7), one F(2), and one F(4) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 16-37°. In the sixth V site, V(6) is bonded to one O(1), one O(2), one O(8), one O(9), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one V(1) and one V(5) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(2) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. is represented by the CIF card [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   5.318
_cell_length_c   11.586
_cell_angle_alpha   100.877
_cell_angle_beta   102.188
_cell_angle_gamma   90.946
_symmetry_Int_Tables_number   1
_cell_volume   305.900
_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  0.877  0.816  0.679  1.0
  V  V1  1  0.631  0.653  0.345  1.0
  V  V2  1  0.539  0.537  0.012  1.0
  V  V3  1  0.360  0.363  0.685  1.0
  V  V4  1  0.030  0.032  0.019  1.0
  V  V5  1  0.161  0.148  0.352  1.0
  O  O6  1  0.998  0.090  0.162  1.0
  O  O7  1  0.969  0.893  0.355  1.0
  O  O8  1  0.665  0.584  0.159  1.0
  O  O9  1  0.660  0.744  0.493  1.0
  O  O10  1  0.631  0.560  0.693  1.0
  O  O11  1  0.297  0.217  0.022  1.0
  O  O12  1  0.694  0.771  0.967  1.0
  O  O13  1  0.364  0.445  0.303  1.0
  O  O14  1  0.319  0.246  0.495  1.0
  O  O15  1  0.333  0.407  0.829  1.0
  O  O16  1  0.106  0.602  0.638  1.0
  O  O17  1  0.992  0.910  0.826  1.0
  F  F18  1  0.886  0.391  0.359  1.0
  F  F19  1  0.773  0.272  0.964  1.0
  F  F20  1  0.446  0.949  0.299  1.0
  F  F21  1  0.215  0.715  0.027  1.0
  F  F22  1  0.540  0.050  0.685  1.0
  F  F23  1  0.013  0.107  0.633  1.0
[/CIF]
.