The compound described by FVO2 crystallizes in the monoclinic C2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), two equivalent O(5), and two equivalent F(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one F(1), and one F(2) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), one F(1), and one F(2) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(2) atoms. 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 bent 150 degrees geometry to two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one V(1) and one V(3) 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(3) atom. In the second F site, F(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.099
_cell_length_b   11.099
_cell_length_c   5.480
_cell_angle_alpha   77.706
_cell_angle_beta   77.706
_cell_angle_gamma   27.976
_symmetry_Int_Tables_number   1
_cell_volume   308.967
_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  0.125  0.379  0.722  1.0
  V  V1  1  0.298  0.529  0.622  1.0
  V  V2  1  0.471  0.702  0.378  1.0
  V  V3  1  0.621  0.875  0.278  1.0
  V  V4  1  0.975  0.186  0.871  1.0
  V  V5  1  0.814  0.025  0.129  1.0
  O  O6  1  0.996  0.004  0.000  1.0
  O  O7  1  0.042  0.762  0.803  1.0
  O  O8  1  0.366  0.634  0.500  1.0
  O  O9  1  0.335  0.329  0.663  1.0
  O  O10  1  0.238  0.958  0.197  1.0
  O  O11  1  0.367  0.102  0.477  1.0
  O  O12  1  0.789  0.346  0.643  1.0
  O  O13  1  0.654  0.211  0.357  1.0
  O  O14  1  0.700  0.963  0.169  1.0
  O  O15  1  0.671  0.665  0.337  1.0
  O  O16  1  0.898  0.633  0.523  1.0
  O  O17  1  0.037  0.300  0.831  1.0
  F  F18  1  0.114  0.688  0.314  1.0
  F  F19  1  0.556  0.301  0.876  1.0
  F  F20  1  0.699  0.444  0.124  1.0
  F  F21  1  0.312  0.886  0.686  1.0
  F  F22  1  0.458  0.010  0.989  1.0
  F  F23  1  0.990  0.542  0.011  1.0
[/CIF]
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The compound described by FVO2 crystallizes in the monoclinic C2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), two equivalent O(5), and two equivalent F(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one F(1), and one F(2) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), one F(1), and one F(2) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(3) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(2) atoms. 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 bent 150 degrees geometry to two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one V(1) and one V(3) 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(3) atom. In the second F site, F(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.099
_cell_length_b   11.099
_cell_length_c   5.480
_cell_angle_alpha   77.706
_cell_angle_beta   77.706
_cell_angle_gamma   27.976
_symmetry_Int_Tables_number   1
_cell_volume   308.967
_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  0.125  0.379  0.722  1.0
  V  V1  1  0.298  0.529  0.622  1.0
  V  V2  1  0.471  0.702  0.378  1.0
  V  V3  1  0.621  0.875  0.278  1.0
  V  V4  1  0.975  0.186  0.871  1.0
  V  V5  1  0.814  0.025  0.129  1.0
  O  O6  1  0.996  0.004  0.000  1.0
  O  O7  1  0.042  0.762  0.803  1.0
  O  O8  1  0.366  0.634  0.500  1.0
  O  O9  1  0.335  0.329  0.663  1.0
  O  O10  1  0.238  0.958  0.197  1.0
  O  O11  1  0.367  0.102  0.477  1.0
  O  O12  1  0.789  0.346  0.643  1.0
  O  O13  1  0.654  0.211  0.357  1.0
  O  O14  1  0.700  0.963  0.169  1.0
  O  O15  1  0.671  0.665  0.337  1.0
  O  O16  1  0.898  0.633  0.523  1.0
  O  O17  1  0.037  0.300  0.831  1.0
  F  F18  1  0.114  0.688  0.314  1.0
  F  F19  1  0.556  0.301  0.876  1.0
  F  F20  1  0.699  0.444  0.124  1.0
  F  F21  1  0.312  0.886  0.686  1.0
  F  F22  1  0.458  0.010  0.989  1.0
  F  F23  1  0.990  0.542  0.011  1.0
[/CIF]
.