The crystal structure described by UCl6 is Indium-like structured and crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of three dtxsid201337604 molecules. U(1,2) is bonded in an octahedral geometry to three equivalent Cl(1) and three equivalent Cl(3) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one U(1,2) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one U(1,2) atom. is represented by the CIF card [CIF]
data_UCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.190
_cell_length_b   11.190
_cell_length_c   6.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   663.583
_cell_formula_units_Z   3
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
  U  U0  1  0.667  0.333  0.516  1.0
  U  U1  1  0.333  0.667  0.484  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.230  0.770  0.717  1.0
  Cl  Cl4  1  0.230  0.460  0.717  1.0
  Cl  Cl5  1  0.540  0.770  0.717  1.0
  Cl  Cl6  1  0.104  0.896  0.232  1.0
  Cl  Cl7  1  0.104  0.207  0.232  1.0
  Cl  Cl8  1  0.793  0.896  0.232  1.0
  Cl  Cl9  1  0.207  0.104  0.768  1.0
  Cl  Cl10  1  0.896  0.793  0.768  1.0
  Cl  Cl11  1  0.896  0.104  0.768  1.0
  Cl  Cl12  1  0.437  0.563  0.252  1.0
  Cl  Cl13  1  0.437  0.874  0.252  1.0
  Cl  Cl14  1  0.126  0.563  0.252  1.0
  Cl  Cl15  1  0.874  0.437  0.748  1.0
  Cl  Cl16  1  0.563  0.126  0.748  1.0
  Cl  Cl17  1  0.563  0.437  0.748  1.0
  Cl  Cl18  1  0.770  0.230  0.283  1.0
  Cl  Cl19  1  0.770  0.540  0.283  1.0
  Cl  Cl20  1  0.460  0.230  0.283  1.0
[/CIF]
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The crystal structure described by UCl6 is Indium-like structured and crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of three dtxsid201337604 molecules. U(1,2) is bonded in an octahedral geometry to three equivalent Cl(1) and three equivalent Cl(3) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one U(1,2) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one U(1,2) atom. is represented by the CIF card [CIF]
data_UCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.190
_cell_length_b   11.190
_cell_length_c   6.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   663.583
_cell_formula_units_Z   3
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
  U  U0  1  0.667  0.333  0.516  1.0
  U  U1  1  0.333  0.667  0.484  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.230  0.770  0.717  1.0
  Cl  Cl4  1  0.230  0.460  0.717  1.0
  Cl  Cl5  1  0.540  0.770  0.717  1.0
  Cl  Cl6  1  0.104  0.896  0.232  1.0
  Cl  Cl7  1  0.104  0.207  0.232  1.0
  Cl  Cl8  1  0.793  0.896  0.232  1.0
  Cl  Cl9  1  0.207  0.104  0.768  1.0
  Cl  Cl10  1  0.896  0.793  0.768  1.0
  Cl  Cl11  1  0.896  0.104  0.768  1.0
  Cl  Cl12  1  0.437  0.563  0.252  1.0
  Cl  Cl13  1  0.437  0.874  0.252  1.0
  Cl  Cl14  1  0.126  0.563  0.252  1.0
  Cl  Cl15  1  0.874  0.437  0.748  1.0
  Cl  Cl16  1  0.563  0.126  0.748  1.0
  Cl  Cl17  1  0.563  0.437  0.748  1.0
  Cl  Cl18  1  0.770  0.230  0.283  1.0
  Cl  Cl19  1  0.770  0.540  0.283  1.0
  Cl  Cl20  1  0.460  0.230  0.283  1.0
[/CIF]
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