The crystal structure described by V2OF4 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the second V site, V(2) is bonded to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the third V site, V(3) is bonded to one O(1), one F(3), one F(5), one F(6), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the fourth V site, V(4) is bonded to one O(2), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. There are two 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(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF card [CIF]
data_V2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.927
_cell_length_b   6.867
_cell_length_c   5.711
_cell_angle_alpha   102.074
_cell_angle_beta   90.014
_cell_angle_gamma   69.000
_symmetry_Int_Tables_number   1
_cell_volume   175.804
_cell_formula_units_Z   2
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  0.890  0.726  0.712  1.0
  V  V1  1  0.383  0.725  0.212  1.0
  V  V2  1  0.615  0.273  0.785  1.0
  V  V3  1  0.109  0.273  0.285  1.0
  O  O4  1  0.869  1.000  0.749  1.0
  O  O5  1  0.130  0.998  0.248  1.0
  F  F6  1  0.695  0.766  0.036  1.0
  F  F7  1  0.536  0.769  0.537  1.0
  F  F8  1  0.278  0.596  0.867  1.0
  F  F9  1  0.123  0.596  0.367  1.0
  F  F10  1  0.874  0.403  0.630  1.0
  F  F11  1  0.720  0.402  0.131  1.0
  F  F12  1  0.462  0.231  0.461  1.0
  F  F13  1  0.304  0.230  0.961  1.0
[/CIF]
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The crystal structure described by V2OF4 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the second V site, V(2) is bonded to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the third V site, V(3) is bonded to one O(1), one F(3), one F(5), one F(6), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the fourth V site, V(4) is bonded to one O(2), one F(4), one F(5), one F(6), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. There are two 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(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. is represented by the CIF card [CIF]
data_V2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.927
_cell_length_b   6.867
_cell_length_c   5.711
_cell_angle_alpha   102.074
_cell_angle_beta   90.014
_cell_angle_gamma   69.000
_symmetry_Int_Tables_number   1
_cell_volume   175.804
_cell_formula_units_Z   2
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  0.890  0.726  0.712  1.0
  V  V1  1  0.383  0.725  0.212  1.0
  V  V2  1  0.615  0.273  0.785  1.0
  V  V3  1  0.109  0.273  0.285  1.0
  O  O4  1  0.869  1.000  0.749  1.0
  O  O5  1  0.130  0.998  0.248  1.0
  F  F6  1  0.695  0.766  0.036  1.0
  F  F7  1  0.536  0.769  0.537  1.0
  F  F8  1  0.278  0.596  0.867  1.0
  F  F9  1  0.123  0.596  0.367  1.0
  F  F10  1  0.874  0.403  0.630  1.0
  F  F11  1  0.720  0.402  0.131  1.0
  F  F12  1  0.462  0.231  0.461  1.0
  F  F13  1  0.304  0.230  0.961  1.0
[/CIF]
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