The compound described by V2OF5 crystallizes in the trigonal P3 space group. There are two 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the second V site, V(2) 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are five 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 bent 120 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.552
_cell_length_b   8.552
_cell_length_c   4.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   292.737
_cell_formula_units_Z   3
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  0.666  0.665  1.000  1.0
  V  V1  1  0.343  0.352  0.477  1.0
  V  V2  1  0.009  0.657  0.477  1.0
  V  V3  1  0.335  0.002  1.000  1.0
  V  V4  1  0.998  0.334  1.000  1.0
  V  V5  1  0.648  0.991  0.477  1.0
  O  O6  1  0.452  0.535  0.258  1.0
  O  O7  1  0.084  0.548  0.258  1.0
  O  O8  1  0.465  0.916  0.258  1.0
  F  F9  1  0.218  0.429  0.748  1.0
  F  F10  1  0.868  0.118  0.742  1.0
  F  F11  1  0.116  0.233  0.251  1.0
  F  F12  1  0.251  0.132  0.742  1.0
  F  F13  1  0.571  0.789  0.748  1.0
  F  F14  1  0.767  0.882  0.251  1.0
  F  F15  1  0.118  0.884  0.251  1.0
  F  F16  1  0.882  0.749  0.742  1.0
  F  F17  1  0.211  0.782  0.748  1.0
  F  F18  1  0.551  0.450  0.750  1.0
  F  F19  1  0.785  0.569  0.256  1.0
  F  F20  1  0.431  0.216  0.256  1.0
  F  F21  1  0.899  0.449  0.750  1.0
  F  F22  1  0.550  0.101  0.750  1.0
  F  F23  1  0.784  0.215  0.256  1.0
[/CIF]
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The compound described by V2OF5 crystallizes in the trigonal P3 space group. There are two 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the second V site, V(2) 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are five 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 bent 120 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.552
_cell_length_b   8.552
_cell_length_c   4.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   292.737
_cell_formula_units_Z   3
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  0.666  0.665  1.000  1.0
  V  V1  1  0.343  0.352  0.477  1.0
  V  V2  1  0.009  0.657  0.477  1.0
  V  V3  1  0.335  0.002  1.000  1.0
  V  V4  1  0.998  0.334  1.000  1.0
  V  V5  1  0.648  0.991  0.477  1.0
  O  O6  1  0.452  0.535  0.258  1.0
  O  O7  1  0.084  0.548  0.258  1.0
  O  O8  1  0.465  0.916  0.258  1.0
  F  F9  1  0.218  0.429  0.748  1.0
  F  F10  1  0.868  0.118  0.742  1.0
  F  F11  1  0.116  0.233  0.251  1.0
  F  F12  1  0.251  0.132  0.742  1.0
  F  F13  1  0.571  0.789  0.748  1.0
  F  F14  1  0.767  0.882  0.251  1.0
  F  F15  1  0.118  0.884  0.251  1.0
  F  F16  1  0.882  0.749  0.742  1.0
  F  F17  1  0.211  0.782  0.748  1.0
  F  F18  1  0.551  0.450  0.750  1.0
  F  F19  1  0.785  0.569  0.256  1.0
  F  F20  1  0.431  0.216  0.256  1.0
  F  F21  1  0.899  0.449  0.750  1.0
  F  F22  1  0.550  0.101  0.750  1.0
  F  F23  1  0.784  0.215  0.256  1.0
[/CIF]
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