The structure described by V4(OF3)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(9) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one F(1), one F(4), one F(6), and one F(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(5), one F(6), one F(7), and one F(8) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom. There are three 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(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. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_V4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.378
_cell_length_c   9.045
_cell_angle_alpha   105.584
_cell_angle_beta   90.073
_cell_angle_gamma   118.792
_symmetry_Int_Tables_number   1
_cell_volume   214.155
_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  0.250  0.751  0.750  1.0
  V  V1  1  0.501  0.469  0.506  1.0
  V  V2  1  0.735  0.265  0.255  1.0
  V  V3  1  0.999  0.033  0.993  1.0
  O  O4  1  0.040  0.359  0.880  1.0
  O  O5  1  0.460  0.142  0.621  1.0
  O  O6  1  0.593  0.408  0.331  1.0
  F  F7  1  0.082  0.331  0.418  1.0
  F  F8  1  0.072  0.913  0.831  1.0
  F  F9  1  0.575  0.826  0.924  1.0
  F  F10  1  0.427  0.589  0.668  1.0
  F  F11  1  0.422  0.164  0.078  1.0
  F  F12  1  0.539  0.864  0.375  1.0
  F  F13  1  0.962  0.630  0.119  1.0
  F  F14  1  0.917  0.082  0.174  1.0
  F  F15  1  0.926  0.676  0.576  1.0
[/CIF]
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The structure described by V4(OF3)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(9) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one F(1), one F(4), one F(6), and one F(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(5), one F(6), one F(7), and one F(8) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom. There are three 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(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. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_V4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.279
_cell_length_b   5.378
_cell_length_c   9.045
_cell_angle_alpha   105.584
_cell_angle_beta   90.073
_cell_angle_gamma   118.792
_symmetry_Int_Tables_number   1
_cell_volume   214.155
_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  0.250  0.751  0.750  1.0
  V  V1  1  0.501  0.469  0.506  1.0
  V  V2  1  0.735  0.265  0.255  1.0
  V  V3  1  0.999  0.033  0.993  1.0
  O  O4  1  0.040  0.359  0.880  1.0
  O  O5  1  0.460  0.142  0.621  1.0
  O  O6  1  0.593  0.408  0.331  1.0
  F  F7  1  0.082  0.331  0.418  1.0
  F  F8  1  0.072  0.913  0.831  1.0
  F  F9  1  0.575  0.826  0.924  1.0
  F  F10  1  0.427  0.589  0.668  1.0
  F  F11  1  0.422  0.164  0.078  1.0
  F  F12  1  0.539  0.864  0.375  1.0
  F  F13  1  0.962  0.630  0.119  1.0
  F  F14  1  0.917  0.082  0.174  1.0
  F  F15  1  0.926  0.676  0.576  1.0
[/CIF]
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