The compound described by V2OF5 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. In the second V site, V(2) is bonded to one O(2), one F(10), one F(2), one F(3), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. In the third V site, V(3) is bonded to one O(1), one F(1), one F(4), one F(5), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the fourth V site, V(4) is bonded to one O(1), one F(1), one F(4), one F(6), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a bent 120 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(3) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 120 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   4.632
_cell_length_b   4.899
_cell_length_c   4.906
_cell_angle_alpha   61.278
_cell_angle_beta   89.333
_cell_angle_gamma   89.054
_symmetry_Int_Tables_number   1
_cell_volume   97.612
_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
  F  F0  1  0.249  0.998  0.354  1.0
  F  F1  1  0.251  0.645  0.995  1.0
  F  F2  1  0.245  0.374  0.637  1.0
  F  F3  1  0.758  0.635  0.360  1.0
  F  F4  1  0.757  0.350  0.001  1.0
  O  O5  1  0.757  0.983  0.641  1.0
  V  V6  1  0.980  0.693  0.675  1.0
  V  V7  1  0.502  0.324  0.343  1.0
[/CIF]
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The compound described by V2OF5 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. In the second V site, V(2) is bonded to one O(2), one F(10), one F(2), one F(3), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. In the third V site, V(3) is bonded to one O(1), one F(1), one F(4), one F(5), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the fourth V site, V(4) is bonded to one O(1), one F(1), one F(4), one F(6), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a bent 120 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(3) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 120 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   4.632
_cell_length_b   4.899
_cell_length_c   4.906
_cell_angle_alpha   61.278
_cell_angle_beta   89.333
_cell_angle_gamma   89.054
_symmetry_Int_Tables_number   1
_cell_volume   97.612
_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
  F  F0  1  0.249  0.998  0.354  1.0
  F  F1  1  0.251  0.645  0.995  1.0
  F  F2  1  0.245  0.374  0.637  1.0
  F  F3  1  0.758  0.635  0.360  1.0
  F  F4  1  0.757  0.350  0.001  1.0
  O  O5  1  0.757  0.983  0.641  1.0
  V  V6  1  0.980  0.693  0.675  1.0
  V  V7  1  0.502  0.324  0.343  1.0
[/CIF]
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