The compound described by Cs2UCl6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent U(1)Cl6 octahedra, faces with eight equivalent Cs(1)Cl12 cuboctahedra, and faces with three equivalent U(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 21°. U(1) is bonded to six equivalent Cl(1) atoms to form UCl6 octahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra and faces with six equivalent Cs(1)Cl12 cuboctahedra. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2UCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.512
_cell_length_b   7.512
_cell_length_c   6.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.207
_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
  Cs  Cs0  1  0.667  0.333  0.266  1.0
  Cs  Cs1  1  0.333  0.667  0.734  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.833  0.167  0.760  1.0
  Cl  Cl4  1  0.833  0.665  0.760  1.0
  Cl  Cl5  1  0.335  0.167  0.760  1.0
  Cl  Cl6  1  0.167  0.833  0.240  1.0
  Cl  Cl7  1  0.167  0.335  0.240  1.0
  Cl  Cl8  1  0.665  0.833  0.240  1.0
[/CIF]
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The compound described by Cs2UCl6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent U(1)Cl6 octahedra, faces with eight equivalent Cs(1)Cl12 cuboctahedra, and faces with three equivalent U(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 21°. U(1) is bonded to six equivalent Cl(1) atoms to form UCl6 octahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra and faces with six equivalent Cs(1)Cl12 cuboctahedra. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2UCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.512
_cell_length_b   7.512
_cell_length_c   6.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.207
_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
  Cs  Cs0  1  0.667  0.333  0.266  1.0
  Cs  Cs1  1  0.333  0.667  0.734  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.833  0.167  0.760  1.0
  Cl  Cl4  1  0.833  0.665  0.760  1.0
  Cl  Cl5  1  0.335  0.167  0.760  1.0
  Cl  Cl6  1  0.167  0.833  0.240  1.0
  Cl  Cl7  1  0.167  0.335  0.240  1.0
  Cl  Cl8  1  0.665  0.833  0.240  1.0
[/CIF]
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