The material structure described by OClF3 is Cubane-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four OClF3 clusters. In two of the OClF3 clusters, O(1) is bonded in a single-bond geometry to one Cl(1) atom. Cl(1) is bonded in a see-saw-like geometry to one O(1), one F(1), one F(2), and one F(5) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cl(1) atom. In the third F site, F(5) is bonded in a single-bond geometry to one Cl(1) atom. In two of the OClF3 clusters, O(2) is bonded in a single-bond geometry to one Cl(2) atom. Cl(2) is bonded in a see-saw-like geometry to one O(2), one F(3), one F(4), and one F(6) atom. There are three inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Cl(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Cl(2) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Cl(2) atom. is represented by the CIF card [CIF]
data_ClOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.841
_cell_length_b   7.736
_cell_length_c   7.720
_cell_angle_alpha   102.721
_cell_angle_beta   89.785
_cell_angle_gamma   89.917
_symmetry_Int_Tables_number   1
_cell_volume   282.000
_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
  Cl  Cl0  1  0.514  0.719  0.743  1.0
  Cl  Cl1  1  0.019  0.841  0.179  1.0
  Cl  Cl2  1  0.981  0.159  0.821  1.0
  Cl  Cl3  1  0.486  0.281  0.257  1.0
  O  O4  1  0.650  0.566  0.765  1.0
  O  O5  1  0.172  0.843  0.332  1.0
  O  O6  1  0.828  0.157  0.668  1.0
  O  O7  1  0.350  0.434  0.235  1.0
  F  F8  1  0.773  0.877  0.873  1.0
  F  F9  1  0.645  0.773  0.567  1.0
  F  F10  1  0.744  0.296  0.975  1.0
  F  F11  1  0.734  0.967  0.284  1.0
  F  F12  1  0.244  0.621  0.614  1.0
  F  F13  1  0.182  0.333  0.849  1.0
  F  F14  1  0.818  0.667  0.151  1.0
  F  F15  1  0.756  0.379  0.386  1.0
  F  F16  1  0.256  0.704  0.025  1.0
  F  F17  1  0.266  0.033  0.716  1.0
  F  F18  1  0.355  0.227  0.433  1.0
  F  F19  1  0.227  0.123  0.127  1.0
[/CIF]
.
The material structure described by OClF3 is Cubane-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four OClF3 clusters. In two of the OClF3 clusters, O(1) is bonded in a single-bond geometry to one Cl(1) atom. Cl(1) is bonded in a see-saw-like geometry to one O(1), one F(1), one F(2), and one F(5) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cl(1) atom. In the third F site, F(5) is bonded in a single-bond geometry to one Cl(1) atom. In two of the OClF3 clusters, O(2) is bonded in a single-bond geometry to one Cl(2) atom. Cl(2) is bonded in a see-saw-like geometry to one O(2), one F(3), one F(4), and one F(6) atom. There are three inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Cl(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Cl(2) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Cl(2) atom. is represented by the CIF card [CIF]
data_ClOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.841
_cell_length_b   7.736
_cell_length_c   7.720
_cell_angle_alpha   102.721
_cell_angle_beta   89.785
_cell_angle_gamma   89.917
_symmetry_Int_Tables_number   1
_cell_volume   282.000
_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
  Cl  Cl0  1  0.514  0.719  0.743  1.0
  Cl  Cl1  1  0.019  0.841  0.179  1.0
  Cl  Cl2  1  0.981  0.159  0.821  1.0
  Cl  Cl3  1  0.486  0.281  0.257  1.0
  O  O4  1  0.650  0.566  0.765  1.0
  O  O5  1  0.172  0.843  0.332  1.0
  O  O6  1  0.828  0.157  0.668  1.0
  O  O7  1  0.350  0.434  0.235  1.0
  F  F8  1  0.773  0.877  0.873  1.0
  F  F9  1  0.645  0.773  0.567  1.0
  F  F10  1  0.744  0.296  0.975  1.0
  F  F11  1  0.734  0.967  0.284  1.0
  F  F12  1  0.244  0.621  0.614  1.0
  F  F13  1  0.182  0.333  0.849  1.0
  F  F14  1  0.818  0.667  0.151  1.0
  F  F15  1  0.756  0.379  0.386  1.0
  F  F16  1  0.256  0.704  0.025  1.0
  F  F17  1  0.266  0.033  0.716  1.0
  F  F18  1  0.355  0.227  0.433  1.0
  F  F19  1  0.227  0.123  0.127  1.0
[/CIF]
.