The material structure described by CF3IF4 is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trifluoromethane molecules and four IF4 clusters. In each IF4 cluster, I(1) is bonded in a distorted rectangular see-saw-like geometry to one F(4), one F(5), one F(6), and one F(7) atom. There are four inequivalent F sites. In the first F site, F(7) is bonded in a single-bond geometry to one I(1) atom. In the second F site, F(4) is bonded in a single-bond geometry to one I(1) atom. In the third F site, F(5) is bonded in a single-bond geometry to one I(1) atom. In the fourth F site, F(6) is bonded in a single-bond geometry to one I(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CIF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.635
_cell_length_b   7.782
_cell_length_c   8.800
_cell_angle_alpha   79.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   582.183
_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
  C  C0  1  0.425  0.670  0.718  1.0
  C  C1  1  0.925  0.330  0.782  1.0
  C  C2  1  0.575  0.330  0.282  1.0
  C  C3  1  0.075  0.670  0.218  1.0
  I  I4  1  0.597  0.850  0.812  1.0
  I  I5  1  0.097  0.150  0.688  1.0
  I  I6  1  0.403  0.150  0.188  1.0
  I  I7  1  0.903  0.850  0.312  1.0
  F  F8  1  0.070  0.705  0.065  1.0
  F  F9  1  0.570  0.295  0.435  1.0
  F  F10  1  0.930  0.295  0.935  1.0
  F  F11  1  0.430  0.705  0.565  1.0
  F  F12  1  0.035  0.505  0.271  1.0
  F  F13  1  0.535  0.495  0.229  1.0
  F  F14  1  0.965  0.495  0.729  1.0
  F  F15  1  0.465  0.505  0.771  1.0
  F  F16  1  0.215  0.704  0.269  1.0
  F  F17  1  0.715  0.296  0.231  1.0
  F  F18  1  0.785  0.296  0.731  1.0
  F  F19  1  0.285  0.704  0.769  1.0
  F  F20  1  0.046  0.028  0.207  1.0
  F  F21  1  0.546  0.972  0.293  1.0
  F  F22  1  0.954  0.972  0.793  1.0
  F  F23  1  0.454  0.028  0.707  1.0
  F  F24  1  0.041  0.810  0.492  1.0
  F  F25  1  0.541  0.190  0.008  1.0
  F  F26  1  0.959  0.190  0.508  1.0
  F  F27  1  0.459  0.810  0.992  1.0
  F  F28  1  0.793  0.634  0.392  1.0
  F  F29  1  0.293  0.366  0.108  1.0
  F  F30  1  0.207  0.366  0.608  1.0
  F  F31  1  0.707  0.634  0.892  1.0
  F  F32  1  0.799  0.856  0.114  1.0
  F  F33  1  0.299  0.144  0.386  1.0
  F  F34  1  0.201  0.144  0.886  1.0
  F  F35  1  0.701  0.856  0.614  1.0
[/CIF]
.
The material structure described by CF3IF4 is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trifluoromethane molecules and four IF4 clusters. In each IF4 cluster, I(1) is bonded in a distorted rectangular see-saw-like geometry to one F(4), one F(5), one F(6), and one F(7) atom. There are four inequivalent F sites. In the first F site, F(7) is bonded in a single-bond geometry to one I(1) atom. In the second F site, F(4) is bonded in a single-bond geometry to one I(1) atom. In the third F site, F(5) is bonded in a single-bond geometry to one I(1) atom. In the fourth F site, F(6) is bonded in a single-bond geometry to one I(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CIF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.635
_cell_length_b   7.782
_cell_length_c   8.800
_cell_angle_alpha   79.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   582.183
_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
  C  C0  1  0.425  0.670  0.718  1.0
  C  C1  1  0.925  0.330  0.782  1.0
  C  C2  1  0.575  0.330  0.282  1.0
  C  C3  1  0.075  0.670  0.218  1.0
  I  I4  1  0.597  0.850  0.812  1.0
  I  I5  1  0.097  0.150  0.688  1.0
  I  I6  1  0.403  0.150  0.188  1.0
  I  I7  1  0.903  0.850  0.312  1.0
  F  F8  1  0.070  0.705  0.065  1.0
  F  F9  1  0.570  0.295  0.435  1.0
  F  F10  1  0.930  0.295  0.935  1.0
  F  F11  1  0.430  0.705  0.565  1.0
  F  F12  1  0.035  0.505  0.271  1.0
  F  F13  1  0.535  0.495  0.229  1.0
  F  F14  1  0.965  0.495  0.729  1.0
  F  F15  1  0.465  0.505  0.771  1.0
  F  F16  1  0.215  0.704  0.269  1.0
  F  F17  1  0.715  0.296  0.231  1.0
  F  F18  1  0.785  0.296  0.731  1.0
  F  F19  1  0.285  0.704  0.769  1.0
  F  F20  1  0.046  0.028  0.207  1.0
  F  F21  1  0.546  0.972  0.293  1.0
  F  F22  1  0.954  0.972  0.793  1.0
  F  F23  1  0.454  0.028  0.707  1.0
  F  F24  1  0.041  0.810  0.492  1.0
  F  F25  1  0.541  0.190  0.008  1.0
  F  F26  1  0.959  0.190  0.508  1.0
  F  F27  1  0.459  0.810  0.992  1.0
  F  F28  1  0.793  0.634  0.392  1.0
  F  F29  1  0.293  0.366  0.108  1.0
  F  F30  1  0.207  0.366  0.608  1.0
  F  F31  1  0.707  0.634  0.892  1.0
  F  F32  1  0.799  0.856  0.114  1.0
  F  F33  1  0.299  0.144  0.386  1.0
  F  F34  1  0.201  0.144  0.886  1.0
  F  F35  1  0.701  0.856  0.614  1.0
[/CIF]
.