The structure described by V4(OF3)3 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(2), one O(4), one F(1), one F(2), one F(4), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the second V site, V(2) is bonded to one O(1), one O(5), one F(11), one F(13), one F(3), and one F(8) atom to form VO2F4 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. In the third V site, V(3) is bonded to one O(4), one F(10), one F(12), one F(4), one F(5), and one F(7) atom to form VOF5 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. In the fourth V site, V(4) is bonded to one O(5), one F(11), one F(14), one F(16), one F(6), and one F(8) atom to form VOF5 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. In the fifth V site, V(5) is bonded to one O(6), one F(10), one F(12), one F(15), one F(5), and one F(9) atom to form VOF5 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. In the sixth V site, V(6) is bonded to one O(3), one F(14), one F(16), one F(17), one F(18), and one F(6) atom to form VOF5 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. In the seventh V site, V(7) is bonded to one O(2), one O(3), one F(1), one F(17), one F(18), and one F(2) atom to form VO2F4 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 24-35°. In the eighth V site, V(8) is bonded to one O(1), one O(6), one F(13), one F(15), one F(3), and one F(9) atom to form VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. There are eighteen 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(7) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) 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(3) and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   5.397
_cell_length_c   17.429
_cell_angle_alpha   89.765
_cell_angle_beta   97.995
_cell_angle_gamma   118.479
_symmetry_Int_Tables_number   1
_cell_volume   426.688
_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  0.757  0.357  0.119  1.0
  V  V1  1  0.735  0.880  0.625  1.0
  V  V2  1  0.520  0.721  0.248  1.0
  V  V3  1  0.504  0.238  0.748  1.0
  V  V4  1  0.260  0.096  0.380  1.0
  V  V5  1  0.243  0.637  0.882  1.0
  V  V6  1  1.000  0.997  1.000  1.0
  V  V7  1  0.032  0.523  0.505  1.0
  O  O8  1  0.321  0.671  0.578  1.0
  O  O9  1  0.831  0.208  0.046  1.0
  O  O10  1  0.171  0.787  0.955  1.0
  O  O11  1  0.660  0.540  0.207  1.0
  O  O12  1  0.643  0.053  0.708  1.0
  O  O13  1  0.208  0.822  0.434  1.0
  F  F14  1  0.326  0.154  0.087  1.0
  F  F15  1  0.770  0.676  0.062  1.0
  F  F16  1  0.778  0.197  0.560  1.0
  F  F17  1  0.724  0.067  0.192  1.0
  F  F18  1  0.340  0.952  0.289  1.0
  F  F19  1  0.330  0.461  0.793  1.0
  F  F20  1  0.171  0.595  0.166  1.0
  F  F21  1  0.162  0.103  0.665  1.0
  F  F22  1  0.174  0.293  0.459  1.0
  F  F23  1  0.294  0.429  0.315  1.0
  F  F24  1  0.714  0.573  0.691  1.0
  F  F25  1  0.835  0.920  0.335  1.0
  F  F26  1  0.824  0.714  0.538  1.0
  F  F27  1  0.822  0.404  0.838  1.0
  F  F28  1  0.682  0.339  0.416  1.0
  F  F29  1  0.263  0.931  0.810  1.0
  F  F30  1  0.231  0.318  0.937  1.0
  F  F31  1  0.673  0.843  0.912  1.0
[/CIF]
.
The structure described by V4(OF3)3 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(2), one O(4), one F(1), one F(2), one F(4), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the second V site, V(2) is bonded to one O(1), one O(5), one F(11), one F(13), one F(3), and one F(8) atom to form VO2F4 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. In the third V site, V(3) is bonded to one O(4), one F(10), one F(12), one F(4), one F(5), and one F(7) atom to form VOF5 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. In the fourth V site, V(4) is bonded to one O(5), one F(11), one F(14), one F(16), one F(6), and one F(8) atom to form VOF5 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. In the fifth V site, V(5) is bonded to one O(6), one F(10), one F(12), one F(15), one F(5), and one F(9) atom to form VOF5 octahedra that share corners with three equivalent V(8)O2F4 octahedra and corners with three equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. In the sixth V site, V(6) is bonded to one O(3), one F(14), one F(16), one F(17), one F(18), and one F(6) atom to form VOF5 octahedra that share corners with three equivalent V(7)O2F4 octahedra and corners with three equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 25-35°. In the seventh V site, V(7) is bonded to one O(2), one O(3), one F(1), one F(17), one F(18), and one F(2) atom to form VO2F4 octahedra that share corners with three equivalent V(1)O2F4 octahedra and corners with three equivalent V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 24-35°. In the eighth V site, V(8) is bonded to one O(1), one O(6), one F(13), one F(15), one F(3), and one F(9) atom to form VO2F4 octahedra that share corners with three equivalent V(2)O2F4 octahedra and corners with three equivalent V(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. There are eighteen 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(7) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) 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(3) and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   5.397
_cell_length_c   17.429
_cell_angle_alpha   89.765
_cell_angle_beta   97.995
_cell_angle_gamma   118.479
_symmetry_Int_Tables_number   1
_cell_volume   426.688
_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  0.757  0.357  0.119  1.0
  V  V1  1  0.735  0.880  0.625  1.0
  V  V2  1  0.520  0.721  0.248  1.0
  V  V3  1  0.504  0.238  0.748  1.0
  V  V4  1  0.260  0.096  0.380  1.0
  V  V5  1  0.243  0.637  0.882  1.0
  V  V6  1  1.000  0.997  1.000  1.0
  V  V7  1  0.032  0.523  0.505  1.0
  O  O8  1  0.321  0.671  0.578  1.0
  O  O9  1  0.831  0.208  0.046  1.0
  O  O10  1  0.171  0.787  0.955  1.0
  O  O11  1  0.660  0.540  0.207  1.0
  O  O12  1  0.643  0.053  0.708  1.0
  O  O13  1  0.208  0.822  0.434  1.0
  F  F14  1  0.326  0.154  0.087  1.0
  F  F15  1  0.770  0.676  0.062  1.0
  F  F16  1  0.778  0.197  0.560  1.0
  F  F17  1  0.724  0.067  0.192  1.0
  F  F18  1  0.340  0.952  0.289  1.0
  F  F19  1  0.330  0.461  0.793  1.0
  F  F20  1  0.171  0.595  0.166  1.0
  F  F21  1  0.162  0.103  0.665  1.0
  F  F22  1  0.174  0.293  0.459  1.0
  F  F23  1  0.294  0.429  0.315  1.0
  F  F24  1  0.714  0.573  0.691  1.0
  F  F25  1  0.835  0.920  0.335  1.0
  F  F26  1  0.824  0.714  0.538  1.0
  F  F27  1  0.822  0.404  0.838  1.0
  F  F28  1  0.682  0.339  0.416  1.0
  F  F29  1  0.263  0.931  0.810  1.0
  F  F30  1  0.231  0.318  0.937  1.0
  F  F31  1  0.673  0.843  0.912  1.0
[/CIF]
.