The structure described by V2OF5 crystallizes in the triclinic P1 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 23-36°. 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 23-36°. 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   5.068
_cell_length_b   5.323
_cell_length_c   5.102
_cell_angle_alpha   118.622
_cell_angle_beta   119.006
_cell_angle_gamma   91.089
_symmetry_Int_Tables_number   1
_cell_volume   99.829
_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  0.685  0.991  0.327  1.0
  V  V1  1  0.156  0.466  0.321  1.0
  O  O2  1  0.978  0.222  0.396  1.0
  F  F3  1  0.320  0.729  0.224  1.0
  F  F4  1  0.392  0.212  0.199  1.0
  F  F5  1  0.512  0.713  0.813  1.0
  F  F6  1  0.918  0.732  0.433  1.0
  F  F7  1  0.800  0.231  0.820  1.0
[/CIF]
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The structure described by V2OF5 crystallizes in the triclinic P1 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 23-36°. 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 23-36°. 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   5.068
_cell_length_b   5.323
_cell_length_c   5.102
_cell_angle_alpha   118.622
_cell_angle_beta   119.006
_cell_angle_gamma   91.089
_symmetry_Int_Tables_number   1
_cell_volume   99.829
_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  0.685  0.991  0.327  1.0
  V  V1  1  0.156  0.466  0.321  1.0
  O  O2  1  0.978  0.222  0.396  1.0
  F  F3  1  0.320  0.729  0.224  1.0
  F  F4  1  0.392  0.212  0.199  1.0
  F  F5  1  0.512  0.713  0.813  1.0
  F  F6  1  0.918  0.732  0.433  1.0
  F  F7  1  0.800  0.231  0.820  1.0
[/CIF]
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