The compound described by V2OF5 crystallizes in the monoclinic Pc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms 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(2), one F(3), one F(4), and two equivalent F(1) atoms 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 two equivalent V(2) atoms. 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 two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   7.396
_cell_length_c   5.279
_cell_angle_alpha   93.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   197.160
_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  0.484  0.494  0.476  1.0
  V  V1  1  0.516  0.994  0.476  1.0
  V  V2  1  0.006  0.497  0.003  1.0
  V  V3  1  0.994  0.997  0.003  1.0
  O  O4  1  0.701  0.959  0.213  1.0
  O  O5  1  0.299  0.459  0.213  1.0
  F  F6  1  0.891  0.249  1.000  1.0
  F  F7  1  0.805  0.557  0.304  1.0
  F  F8  1  0.807  0.942  0.699  1.0
  F  F9  1  0.693  0.551  0.795  1.0
  F  F10  1  0.612  0.251  0.511  1.0
  F  F11  1  0.388  0.751  0.511  1.0
  F  F12  1  0.307  0.051  0.795  1.0
  F  F13  1  0.195  0.057  0.304  1.0
  F  F14  1  0.193  0.442  0.699  1.0
  F  F15  1  0.109  0.749  0.999  1.0
[/CIF]
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The compound described by V2OF5 crystallizes in the monoclinic Pc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms 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(2), one F(3), one F(4), and two equivalent F(1) atoms 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 two equivalent V(2) atoms. 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 two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.060
_cell_length_b   7.396
_cell_length_c   5.279
_cell_angle_alpha   93.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   197.160
_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  0.484  0.494  0.476  1.0
  V  V1  1  0.516  0.994  0.476  1.0
  V  V2  1  0.006  0.497  0.003  1.0
  V  V3  1  0.994  0.997  0.003  1.0
  O  O4  1  0.701  0.959  0.213  1.0
  O  O5  1  0.299  0.459  0.213  1.0
  F  F6  1  0.891  0.249  1.000  1.0
  F  F7  1  0.805  0.557  0.304  1.0
  F  F8  1  0.807  0.942  0.699  1.0
  F  F9  1  0.693  0.551  0.795  1.0
  F  F10  1  0.612  0.251  0.511  1.0
  F  F11  1  0.388  0.751  0.511  1.0
  F  F12  1  0.307  0.051  0.795  1.0
  F  F13  1  0.195  0.057  0.304  1.0
  F  F14  1  0.193  0.442  0.699  1.0
  F  F15  1  0.109  0.749  0.999  1.0
[/CIF]
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