The crystal structure described by FVO2 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 28-35°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. There are three 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(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   5.235
_cell_length_c   12.530
_cell_angle_alpha   88.836
_cell_angle_beta   88.160
_cell_angle_gamma   63.126
_symmetry_Int_Tables_number   1
_cell_volume   294.886
_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  0.373  0.319  0.340  1.0
  V  V1  1  0.274  0.393  0.840  1.0
  V  V2  1  0.726  0.607  0.160  1.0
  V  V3  1  0.627  0.681  0.660  1.0
  V  V4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.485  0.470  0.721  1.0
  O  O7  1  0.604  0.191  0.448  1.0
  O  O8  1  0.250  0.671  0.919  1.0
  O  O9  1  0.867  0.863  0.609  1.0
  O  O10  1  0.051  0.466  0.219  1.0
  O  O11  1  0.203  0.183  0.944  1.0
  O  O12  1  0.797  0.817  0.056  1.0
  O  O13  1  0.949  0.534  0.781  1.0
  O  O14  1  0.133  0.137  0.391  1.0
  O  O15  1  0.750  0.329  0.081  1.0
  O  O16  1  0.396  0.809  0.552  1.0
  O  O17  1  0.515  0.530  0.279  1.0
  F  F18  1  0.736  0.135  0.884  1.0
  F  F19  1  0.068  0.661  0.418  1.0
  F  F20  1  0.591  0.008  0.252  1.0
  F  F21  1  0.932  0.339  0.582  1.0
  F  F22  1  0.409  0.992  0.748  1.0
  F  F23  1  0.264  0.865  0.116  1.0
[/CIF]
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The crystal structure described by FVO2 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 28-35°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. There are three 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(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   5.235
_cell_length_c   12.530
_cell_angle_alpha   88.836
_cell_angle_beta   88.160
_cell_angle_gamma   63.126
_symmetry_Int_Tables_number   1
_cell_volume   294.886
_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  0.373  0.319  0.340  1.0
  V  V1  1  0.274  0.393  0.840  1.0
  V  V2  1  0.726  0.607  0.160  1.0
  V  V3  1  0.627  0.681  0.660  1.0
  V  V4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.485  0.470  0.721  1.0
  O  O7  1  0.604  0.191  0.448  1.0
  O  O8  1  0.250  0.671  0.919  1.0
  O  O9  1  0.867  0.863  0.609  1.0
  O  O10  1  0.051  0.466  0.219  1.0
  O  O11  1  0.203  0.183  0.944  1.0
  O  O12  1  0.797  0.817  0.056  1.0
  O  O13  1  0.949  0.534  0.781  1.0
  O  O14  1  0.133  0.137  0.391  1.0
  O  O15  1  0.750  0.329  0.081  1.0
  O  O16  1  0.396  0.809  0.552  1.0
  O  O17  1  0.515  0.530  0.279  1.0
  F  F18  1  0.736  0.135  0.884  1.0
  F  F19  1  0.068  0.661  0.418  1.0
  F  F20  1  0.591  0.008  0.252  1.0
  F  F21  1  0.932  0.339  0.582  1.0
  F  F22  1  0.409  0.992  0.748  1.0
  F  F23  1  0.264  0.865  0.116  1.0
[/CIF]
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