The material structure described by CCl2F2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two dichlorodifluoromethane molecules. C(1) is bonded in a distorted tetrahedral geometry to one Cl(1), one Cl(2), one F(1), and one F(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_C(ClF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.567
_cell_length_b   8.400
_cell_length_c   5.940
_cell_angle_alpha   81.750
_cell_angle_beta   60.335
_cell_angle_gamma   37.915
_symmetry_Int_Tables_number   1
_cell_volume   226.009
_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
  C  C0  1  0.996  0.009  0.005  1.0
  C  C1  1  0.241  0.254  0.263  1.0
  Cl  Cl2  1  0.913  0.016  0.339  1.0
  Cl  Cl3  1  0.712  0.360  0.029  1.0
  Cl  Cl4  1  0.902  0.528  0.335  1.0
  Cl  Cl5  1  0.216  0.352  0.538  1.0
  F  F6  1  0.260  0.869  0.828  1.0
  F  F7  1  0.038  0.838  0.876  1.0
  F  F8  1  0.417  0.215  0.001  1.0
  F  F9  1  0.373  0.998  0.214  1.0
[/CIF]
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The material structure described by CCl2F2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two dichlorodifluoromethane molecules. C(1) is bonded in a distorted tetrahedral geometry to one Cl(1), one Cl(2), one F(1), and one F(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_C(ClF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.567
_cell_length_b   8.400
_cell_length_c   5.940
_cell_angle_alpha   81.750
_cell_angle_beta   60.335
_cell_angle_gamma   37.915
_symmetry_Int_Tables_number   1
_cell_volume   226.009
_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
  C  C0  1  0.996  0.009  0.005  1.0
  C  C1  1  0.241  0.254  0.263  1.0
  Cl  Cl2  1  0.913  0.016  0.339  1.0
  Cl  Cl3  1  0.712  0.360  0.029  1.0
  Cl  Cl4  1  0.902  0.528  0.335  1.0
  Cl  Cl5  1  0.216  0.352  0.538  1.0
  F  F6  1  0.260  0.869  0.828  1.0
  F  F7  1  0.038  0.838  0.876  1.0
  F  F8  1  0.417  0.215  0.001  1.0
  F  F9  1  0.373  0.998  0.214  1.0
[/CIF]
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