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 in a distorted octahedral geometry to one O(12), one O(3), one O(5), one O(9), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), one F(1), and one F(5) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(5), one O(7), one F(3), and one F(6) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(8), one F(4), and one F(5) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(4), one O(9), one F(2), and one F(4) atom. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(6), one O(7), one F(1), and one F(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and one V(6) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one V(3) and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one V(1) and one V(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(4) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) 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(2) and one V(6) 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(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(4) 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(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(6) atom. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   5.313
_cell_length_c   13.018
_cell_angle_alpha   90.337
_cell_angle_beta   91.276
_cell_angle_gamma   118.114
_symmetry_Int_Tables_number   1
_cell_volume   314.635
_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  0.315  0.647  0.680  1.0
  V  V1  1  0.311  0.625  0.179  1.0
  V  V2  1  0.705  0.360  0.852  1.0
  V  V3  1  0.639  0.297  0.351  1.0
  V  V4  1  0.942  0.972  0.515  1.0
  V  V5  1  0.006  0.961  0.016  1.0
  O  O6  1  0.755  0.872  0.103  1.0
  O  O7  1  0.491  0.513  0.263  1.0
  O  O8  1  0.596  0.821  0.557  1.0
  O  O9  1  0.862  0.159  0.391  1.0
  O  O10  1  0.023  0.523  0.762  1.0
  O  O11  1  0.227  0.825  0.059  1.0
  O  O12  1  0.839  0.208  0.932  1.0
  O  O13  1  0.971  0.467  0.217  1.0
  O  O14  1  0.120  0.874  0.601  1.0
  O  O15  1  0.785  0.676  0.915  1.0
  O  O16  1  0.384  0.193  0.438  1.0
  O  O17  1  0.500  0.485  0.722  1.0
  F  F18  1  0.274  0.349  0.073  1.0
  F  F19  1  0.076  0.354  0.575  1.0
  F  F20  1  0.552  0.999  0.746  1.0
  F  F21  1  0.892  0.674  0.415  1.0
  F  F22  1  0.426  0.988  0.251  1.0
  F  F23  1  0.307  0.157  0.885  1.0
[/CIF]
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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 in a distorted octahedral geometry to one O(12), one O(3), one O(5), one O(9), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(8), one F(1), and one F(5) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(5), one O(7), one F(3), and one F(6) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(8), one F(4), and one F(5) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(4), one O(9), one F(2), and one F(4) atom. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(6), one O(7), one F(1), and one F(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and one V(6) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one V(3) and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one V(1) and one V(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(4) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) 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(2) and one V(6) 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(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(4) 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(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(6) atom. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   5.313
_cell_length_c   13.018
_cell_angle_alpha   90.337
_cell_angle_beta   91.276
_cell_angle_gamma   118.114
_symmetry_Int_Tables_number   1
_cell_volume   314.635
_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  0.315  0.647  0.680  1.0
  V  V1  1  0.311  0.625  0.179  1.0
  V  V2  1  0.705  0.360  0.852  1.0
  V  V3  1  0.639  0.297  0.351  1.0
  V  V4  1  0.942  0.972  0.515  1.0
  V  V5  1  0.006  0.961  0.016  1.0
  O  O6  1  0.755  0.872  0.103  1.0
  O  O7  1  0.491  0.513  0.263  1.0
  O  O8  1  0.596  0.821  0.557  1.0
  O  O9  1  0.862  0.159  0.391  1.0
  O  O10  1  0.023  0.523  0.762  1.0
  O  O11  1  0.227  0.825  0.059  1.0
  O  O12  1  0.839  0.208  0.932  1.0
  O  O13  1  0.971  0.467  0.217  1.0
  O  O14  1  0.120  0.874  0.601  1.0
  O  O15  1  0.785  0.676  0.915  1.0
  O  O16  1  0.384  0.193  0.438  1.0
  O  O17  1  0.500  0.485  0.722  1.0
  F  F18  1  0.274  0.349  0.073  1.0
  F  F19  1  0.076  0.354  0.575  1.0
  F  F20  1  0.552  0.999  0.746  1.0
  F  F21  1  0.892  0.674  0.415  1.0
  F  F22  1  0.426  0.988  0.251  1.0
  F  F23  1  0.307  0.157  0.885  1.0
[/CIF]
.