The compound described by V2OF5 crystallizes in the monoclinic C2 space group. V(1) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.889
_cell_length_b   4.889
_cell_length_c   4.587
_cell_angle_alpha   88.625
_cell_angle_beta   88.625
_cell_angle_gamma   59.825
_symmetry_Int_Tables_number   1
_cell_volume   94.728
_cell_formula_units_Z   1
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  0.330  0.356  0.236  1.0
  V  V1  1  0.644  0.670  0.764  1.0
  O  O2  1  0.379  0.621  0.000  1.0
  F  F3  1  0.641  0.359  0.500  1.0
  F  F4  1  0.998  0.638  0.499  1.0
  F  F5  1  0.362  0.002  0.501  1.0
  F  F6  1  0.641  0.999  0.997  1.0
  F  F7  1  0.001  0.359  0.003  1.0
[/CIF]
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The compound described by V2OF5 crystallizes in the monoclinic C2 space group. V(1) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.889
_cell_length_b   4.889
_cell_length_c   4.587
_cell_angle_alpha   88.625
_cell_angle_beta   88.625
_cell_angle_gamma   59.825
_symmetry_Int_Tables_number   1
_cell_volume   94.728
_cell_formula_units_Z   1
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  0.330  0.356  0.236  1.0
  V  V1  1  0.644  0.670  0.764  1.0
  O  O2  1  0.379  0.621  0.000  1.0
  F  F3  1  0.641  0.359  0.500  1.0
  F  F4  1  0.998  0.638  0.499  1.0
  F  F5  1  0.362  0.002  0.501  1.0
  F  F6  1  0.641  0.999  0.997  1.0
  F  F7  1  0.001  0.359  0.003  1.0
[/CIF]
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