The structure described by CTh5 crystallizes in the trigonal R-3m space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded to three equivalent Th(2), three equivalent Th(3), and six equivalent Th(1) atoms to form ThTh12 cuboctahedra that share corners with nine equivalent Th(1)Th12 cuboctahedra, corners with six equivalent C(1)Th6 octahedra, edges with six equivalent Th(2)Th12 cuboctahedra, edges with nine equivalent Th(1)Th12 cuboctahedra, faces with six equivalent Th(1)Th12 cuboctahedra, faces with six equivalent Th(2)Th12 cuboctahedra, and  a faceface with one C(1)Th6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Th site, Th(2) is bonded to six equivalent Th(1) and six equivalent Th(2) atoms to form a mixture of edge, corner, and face-sharing ThTh12 cuboctahedra. In the third Th site, Th(3) is bonded in a distorted T-shaped geometry to three equivalent Th(1) and three equivalent C(1) atoms. C(1) is bonded to six equivalent Th(3) atoms to form CTh6 octahedra that share corners with twelve equivalent Th(1)Th12 cuboctahedra, edges with six equivalent C(1)Th6 octahedra, and faces with two equivalent Th(1)Th12 cuboctahedra. is represented by the CIF file [CIF]
data_Th5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.138
_cell_length_b   15.138
_cell_length_c   15.138
_cell_angle_alpha   13.694
_cell_angle_beta   13.694
_cell_angle_gamma   13.694
_symmetry_Int_Tables_number   1
_cell_volume   169.181
_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
  Th  Th0  1  0.602  0.602  0.602  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  Th  Th2  1  0.398  0.398  0.398  1.0
  Th  Th3  1  0.200  0.200  0.200  1.0
  Th  Th4  1  0.800  0.800  0.800  1.0
  C  C5  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by CTh5 crystallizes in the trigonal R-3m space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded to three equivalent Th(2), three equivalent Th(3), and six equivalent Th(1) atoms to form ThTh12 cuboctahedra that share corners with nine equivalent Th(1)Th12 cuboctahedra, corners with six equivalent C(1)Th6 octahedra, edges with six equivalent Th(2)Th12 cuboctahedra, edges with nine equivalent Th(1)Th12 cuboctahedra, faces with six equivalent Th(1)Th12 cuboctahedra, faces with six equivalent Th(2)Th12 cuboctahedra, and  a faceface with one C(1)Th6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Th site, Th(2) is bonded to six equivalent Th(1) and six equivalent Th(2) atoms to form a mixture of edge, corner, and face-sharing ThTh12 cuboctahedra. In the third Th site, Th(3) is bonded in a distorted T-shaped geometry to three equivalent Th(1) and three equivalent C(1) atoms. C(1) is bonded to six equivalent Th(3) atoms to form CTh6 octahedra that share corners with twelve equivalent Th(1)Th12 cuboctahedra, edges with six equivalent C(1)Th6 octahedra, and faces with two equivalent Th(1)Th12 cuboctahedra. is represented by the CIF file [CIF]
data_Th5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.138
_cell_length_b   15.138
_cell_length_c   15.138
_cell_angle_alpha   13.694
_cell_angle_beta   13.694
_cell_angle_gamma   13.694
_symmetry_Int_Tables_number   1
_cell_volume   169.181
_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
  Th  Th0  1  0.602  0.602  0.602  1.0
  Th  Th1  1  0.000  0.000  0.000  1.0
  Th  Th2  1  0.398  0.398  0.398  1.0
  Th  Th3  1  0.200  0.200  0.200  1.0
  Th  Th4  1  0.800  0.800  0.800  1.0
  C  C5  1  0.500  0.500  0.500  1.0
[/CIF]
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