The compound described by V2OF5 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(15), one F(2), one F(6), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the second V site, V(2) is bonded to one O(2), one F(10), one F(12), one F(16), one F(4), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(15), one F(2), one F(3), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(16), one F(17), one F(5), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(14), one F(19), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-32°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(17), one F(18), one F(20), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the seventh V site, V(7) is bonded to one O(1), one F(1), one F(13), one F(18), one F(20), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the eighth V site, V(8) is bonded to one O(2), one F(12), one F(14), one F(19), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. There are twenty 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(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   5.436
_cell_length_c   17.461
_cell_angle_alpha   88.462
_cell_angle_beta   98.483
_cell_angle_gamma   119.168
_symmetry_Int_Tables_number   1
_cell_volume   434.482
_cell_formula_units_Z   4
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  0.247  0.627  0.875  1.0
  V  V1  1  0.234  0.091  0.379  1.0
  V  V2  1  0.500  0.275  0.745  1.0
  V  V3  1  0.507  0.732  0.244  1.0
  V  V4  1  0.745  0.868  0.626  1.0
  V  V5  1  0.749  0.386  0.125  1.0
  V  V6  1  1.000  0.033  0.995  1.0
  V  V7  1  0.999  0.499  0.498  1.0
  O  O8  1  0.047  0.310  0.941  1.0
  O  O9  1  0.058  0.816  0.433  1.0
  O  O10  1  0.549  0.549  0.691  1.0
  O  O11  1  0.582  0.587  0.173  1.0
  F  F12  1  0.071  0.837  0.914  1.0
  F  F13  1  0.462  0.950  0.810  1.0
  F  F14  1  0.076  0.046  0.712  1.0
  F  F15  1  0.072  0.320  0.414  1.0
  F  F16  1  0.081  0.539  0.211  1.0
  F  F17  1  0.578  0.800  0.962  1.0
  F  F18  1  0.427  0.420  0.837  1.0
  F  F19  1  0.426  0.916  0.330  1.0
  F  F20  1  0.424  0.700  0.539  1.0
  F  F21  1  0.459  0.434  0.318  1.0
  F  F22  1  0.566  0.076  0.664  1.0
  F  F23  1  0.575  0.285  0.461  1.0
  F  F24  1  0.419  0.208  0.040  1.0
  F  F25  1  0.930  0.669  0.586  1.0
  F  F26  1  0.921  0.451  0.789  1.0
  F  F27  1  0.923  0.967  0.289  1.0
  F  F28  1  0.528  0.059  0.187  1.0
  F  F29  1  0.961  0.700  0.060  1.0
  F  F30  1  0.964  0.185  0.563  1.0
  F  F31  1  0.920  0.165  0.086  1.0
[/CIF]
.
The compound described by V2OF5 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(15), one F(2), one F(6), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the second V site, V(2) is bonded to one O(2), one F(10), one F(12), one F(16), one F(4), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(15), one F(2), one F(3), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(16), one F(17), one F(5), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(14), one F(19), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-32°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(17), one F(18), one F(20), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the seventh V site, V(7) is bonded to one O(1), one F(1), one F(13), one F(18), one F(20), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the eighth V site, V(8) is bonded to one O(2), one F(12), one F(14), one F(19), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. There are twenty 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(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   5.436
_cell_length_c   17.461
_cell_angle_alpha   88.462
_cell_angle_beta   98.483
_cell_angle_gamma   119.168
_symmetry_Int_Tables_number   1
_cell_volume   434.482
_cell_formula_units_Z   4
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  0.247  0.627  0.875  1.0
  V  V1  1  0.234  0.091  0.379  1.0
  V  V2  1  0.500  0.275  0.745  1.0
  V  V3  1  0.507  0.732  0.244  1.0
  V  V4  1  0.745  0.868  0.626  1.0
  V  V5  1  0.749  0.386  0.125  1.0
  V  V6  1  1.000  0.033  0.995  1.0
  V  V7  1  0.999  0.499  0.498  1.0
  O  O8  1  0.047  0.310  0.941  1.0
  O  O9  1  0.058  0.816  0.433  1.0
  O  O10  1  0.549  0.549  0.691  1.0
  O  O11  1  0.582  0.587  0.173  1.0
  F  F12  1  0.071  0.837  0.914  1.0
  F  F13  1  0.462  0.950  0.810  1.0
  F  F14  1  0.076  0.046  0.712  1.0
  F  F15  1  0.072  0.320  0.414  1.0
  F  F16  1  0.081  0.539  0.211  1.0
  F  F17  1  0.578  0.800  0.962  1.0
  F  F18  1  0.427  0.420  0.837  1.0
  F  F19  1  0.426  0.916  0.330  1.0
  F  F20  1  0.424  0.700  0.539  1.0
  F  F21  1  0.459  0.434  0.318  1.0
  F  F22  1  0.566  0.076  0.664  1.0
  F  F23  1  0.575  0.285  0.461  1.0
  F  F24  1  0.419  0.208  0.040  1.0
  F  F25  1  0.930  0.669  0.586  1.0
  F  F26  1  0.921  0.451  0.789  1.0
  F  F27  1  0.923  0.967  0.289  1.0
  F  F28  1  0.528  0.059  0.187  1.0
  F  F29  1  0.961  0.700  0.060  1.0
  F  F30  1  0.964  0.185  0.563  1.0
  F  F31  1  0.920  0.165  0.086  1.0
[/CIF]
.