The material described by Th11Ru12C18 crystallizes in the cubic I-43m space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 6-coordinate geometry to six equivalent C(2) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to four equivalent C(1) and four equivalent C(2) atoms. In the third Th site, Th(3) is bonded in a 12-coordinate geometry to twelve equivalent Ru(1) atoms. Ru(1) is bonded in a distorted trigonal non-coplanar geometry to one Th(3), one C(1), and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to four equivalent Th(2), two equivalent Ru(1), and one C(1) atom. In the second C site, C(2) is bonded to two equivalent Th(1), two equivalent Th(2), and two equivalent Ru(1) atoms to form a mixture of corner and edge-sharing CTh4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th11(Ru2C3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   9.356
_cell_length_c   9.356
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   630.522
_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  0.595  0.595  0.595  1.0
  Th  Th1  1  0.000  0.405  0.000  1.0
  Th  Th2  1  0.405  0.000  0.000  1.0
  Th  Th3  1  0.000  0.000  0.405  1.0
  Th  Th4  1  0.750  0.500  0.250  1.0
  Th  Th5  1  0.250  0.750  0.500  1.0
  Th  Th6  1  0.750  0.250  0.500  1.0
  Th  Th7  1  0.500  0.250  0.750  1.0
  Th  Th8  1  0.500  0.750  0.250  1.0
  Th  Th9  1  0.250  0.500  0.750  1.0
  Th  Th10  1  0.000  0.000  0.000  1.0
  Ru  Ru11  1  0.830  0.199  0.199  1.0
  Ru  Ru12  1  0.199  0.830  0.199  1.0
  Ru  Ru13  1  0.801  0.000  0.632  1.0
  Ru  Ru14  1  0.000  0.801  0.632  1.0
  Ru  Ru15  1  0.368  0.368  0.170  1.0
  Ru  Ru16  1  0.000  0.632  0.801  1.0
  Ru  Ru17  1  0.632  0.000  0.801  1.0
  Ru  Ru18  1  0.801  0.632  0.000  1.0
  Ru  Ru19  1  0.632  0.801  0.000  1.0
  Ru  Ru20  1  0.199  0.199  0.830  1.0
  Ru  Ru21  1  0.368  0.170  0.368  1.0
  Ru  Ru22  1  0.170  0.368  0.368  1.0
  C  C23  1  0.000  0.434  0.434  1.0
  C  C24  1  0.000  0.566  0.566  1.0
  C  C25  1  0.566  0.000  0.566  1.0
  C  C26  1  0.434  0.000  0.434  1.0
  C  C27  1  0.566  0.566  0.000  1.0
  C  C28  1  0.434  0.434  0.000  1.0
  C  C29  1  0.310  0.310  0.523  1.0
  C  C30  1  0.000  0.213  0.690  1.0
  C  C31  1  0.213  0.000  0.690  1.0
  C  C32  1  0.787  0.477  0.787  1.0
  C  C33  1  0.477  0.787  0.787  1.0
  C  C34  1  0.690  0.000  0.213  1.0
  C  C35  1  0.310  0.523  0.310  1.0
  C  C36  1  0.213  0.690  0.000  1.0
  C  C37  1  0.000  0.690  0.213  1.0
  C  C38  1  0.690  0.213  0.000  1.0
  C  C39  1  0.787  0.787  0.477  1.0
  C  C40  1  0.523  0.310  0.310  1.0
[/CIF]
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The material described by Th11Ru12C18 crystallizes in the cubic I-43m space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 6-coordinate geometry to six equivalent C(2) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to four equivalent C(1) and four equivalent C(2) atoms. In the third Th site, Th(3) is bonded in a 12-coordinate geometry to twelve equivalent Ru(1) atoms. Ru(1) is bonded in a distorted trigonal non-coplanar geometry to one Th(3), one C(1), and two equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 7-coordinate geometry to four equivalent Th(2), two equivalent Ru(1), and one C(1) atom. In the second C site, C(2) is bonded to two equivalent Th(1), two equivalent Th(2), and two equivalent Ru(1) atoms to form a mixture of corner and edge-sharing CTh4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th11(Ru2C3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.356
_cell_length_b   9.356
_cell_length_c   9.356
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   630.522
_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  0.595  0.595  0.595  1.0
  Th  Th1  1  0.000  0.405  0.000  1.0
  Th  Th2  1  0.405  0.000  0.000  1.0
  Th  Th3  1  0.000  0.000  0.405  1.0
  Th  Th4  1  0.750  0.500  0.250  1.0
  Th  Th5  1  0.250  0.750  0.500  1.0
  Th  Th6  1  0.750  0.250  0.500  1.0
  Th  Th7  1  0.500  0.250  0.750  1.0
  Th  Th8  1  0.500  0.750  0.250  1.0
  Th  Th9  1  0.250  0.500  0.750  1.0
  Th  Th10  1  0.000  0.000  0.000  1.0
  Ru  Ru11  1  0.830  0.199  0.199  1.0
  Ru  Ru12  1  0.199  0.830  0.199  1.0
  Ru  Ru13  1  0.801  0.000  0.632  1.0
  Ru  Ru14  1  0.000  0.801  0.632  1.0
  Ru  Ru15  1  0.368  0.368  0.170  1.0
  Ru  Ru16  1  0.000  0.632  0.801  1.0
  Ru  Ru17  1  0.632  0.000  0.801  1.0
  Ru  Ru18  1  0.801  0.632  0.000  1.0
  Ru  Ru19  1  0.632  0.801  0.000  1.0
  Ru  Ru20  1  0.199  0.199  0.830  1.0
  Ru  Ru21  1  0.368  0.170  0.368  1.0
  Ru  Ru22  1  0.170  0.368  0.368  1.0
  C  C23  1  0.000  0.434  0.434  1.0
  C  C24  1  0.000  0.566  0.566  1.0
  C  C25  1  0.566  0.000  0.566  1.0
  C  C26  1  0.434  0.000  0.434  1.0
  C  C27  1  0.566  0.566  0.000  1.0
  C  C28  1  0.434  0.434  0.000  1.0
  C  C29  1  0.310  0.310  0.523  1.0
  C  C30  1  0.000  0.213  0.690  1.0
  C  C31  1  0.213  0.000  0.690  1.0
  C  C32  1  0.787  0.477  0.787  1.0
  C  C33  1  0.477  0.787  0.787  1.0
  C  C34  1  0.690  0.000  0.213  1.0
  C  C35  1  0.310  0.523  0.310  1.0
  C  C36  1  0.213  0.690  0.000  1.0
  C  C37  1  0.000  0.690  0.213  1.0
  C  C38  1  0.690  0.213  0.000  1.0
  C  C39  1  0.787  0.787  0.477  1.0
  C  C40  1  0.523  0.310  0.310  1.0
[/CIF]
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