The compound described by V2OF5 crystallizes in the trigonal P3_2 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 25-38°. 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 25-38°. 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 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 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   5.091
_cell_length_b   13.250
_cell_length_c   5.091
_cell_angle_alpha   89.999
_cell_angle_beta   120.005
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   297.396
_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  0.001  0.498  0.022  1.0
  V  V1  1  0.975  0.006  0.966  1.0
  V  V2  1  0.644  0.831  0.312  1.0
  V  V3  1  0.324  0.673  0.692  1.0
  V  V4  1  0.701  0.340  0.342  1.0
  V  V5  1  0.355  0.165  0.666  1.0
  O  O6  1  0.397  0.750  0.982  1.0
  O  O7  1  0.919  0.417  0.270  1.0
  O  O8  1  0.685  0.083  0.748  1.0
  F  F9  1  0.982  0.747  0.381  1.0
  F  F10  1  0.331  0.417  0.073  1.0
  F  F11  1  0.075  0.083  0.335  1.0
  F  F12  1  0.328  0.919  0.263  1.0
  F  F13  1  0.269  0.586  0.339  1.0
  F  F14  1  0.612  0.248  0.006  1.0
  F  F15  1  0.006  0.248  0.616  1.0
  F  F16  1  0.727  0.915  0.055  1.0
  F  F17  1  0.050  0.581  0.723  1.0
  F  F18  1  0.404  0.253  0.399  1.0
  F  F19  1  0.593  0.750  0.591  1.0
  F  F20  1  0.286  0.080  0.934  1.0
  F  F21  1  0.732  0.414  0.685  1.0
  F  F22  1  0.943  0.915  0.660  1.0
  F  F23  1  0.661  0.581  0.940  1.0
[/CIF]
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The compound described by V2OF5 crystallizes in the trigonal P3_2 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 25-38°. 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 25-38°. 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 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 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   5.091
_cell_length_b   13.250
_cell_length_c   5.091
_cell_angle_alpha   89.999
_cell_angle_beta   120.005
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   297.396
_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  0.001  0.498  0.022  1.0
  V  V1  1  0.975  0.006  0.966  1.0
  V  V2  1  0.644  0.831  0.312  1.0
  V  V3  1  0.324  0.673  0.692  1.0
  V  V4  1  0.701  0.340  0.342  1.0
  V  V5  1  0.355  0.165  0.666  1.0
  O  O6  1  0.397  0.750  0.982  1.0
  O  O7  1  0.919  0.417  0.270  1.0
  O  O8  1  0.685  0.083  0.748  1.0
  F  F9  1  0.982  0.747  0.381  1.0
  F  F10  1  0.331  0.417  0.073  1.0
  F  F11  1  0.075  0.083  0.335  1.0
  F  F12  1  0.328  0.919  0.263  1.0
  F  F13  1  0.269  0.586  0.339  1.0
  F  F14  1  0.612  0.248  0.006  1.0
  F  F15  1  0.006  0.248  0.616  1.0
  F  F16  1  0.727  0.915  0.055  1.0
  F  F17  1  0.050  0.581  0.723  1.0
  F  F18  1  0.404  0.253  0.399  1.0
  F  F19  1  0.593  0.750  0.591  1.0
  F  F20  1  0.286  0.080  0.934  1.0
  F  F21  1  0.732  0.414  0.685  1.0
  F  F22  1  0.943  0.915  0.660  1.0
  F  F23  1  0.661  0.581  0.940  1.0
[/CIF]
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