The structure described by Th2Fe17C crystallizes in the monoclinic C2/m space group. Th(1) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(5), two equivalent Fe(4), four equivalent Fe(7), six equivalent Fe(1), and one C(1) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Th(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and three equivalent Fe(7) atoms to form distorted FeTh3Fe9 cuboctahedra that share  a cornercorner with one Fe(3)Th2Fe10 cuboctahedra, corners with four equivalent Fe(4)Th2Fe10 cuboctahedra, corners with five equivalent Fe(7)Th2Fe10 cuboctahedra, corners with seven equivalent Fe(1)Th3Fe9 cuboctahedra, corners with two equivalent C(1)Th2Fe4 octahedra,  an edgeedge with one Fe(3)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Th2Fe10 cuboctahedra, edges with two equivalent Fe(4)Th2Fe10 cuboctahedra, edges with three equivalent Fe(1)Th3Fe9 cuboctahedra,  a faceface with one Fe(3)Th2Fe10 cuboctahedra, faces with two equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with seven equivalent Fe(7)Th2Fe10 cuboctahedra, and  a faceface with one C(1)Th2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(5), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(7), and one C(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Th(1), two equivalent Fe(5), four equivalent Fe(1), and four equivalent Fe(7) atoms to form FeTh2Fe10 cuboctahedra that share corners with four equivalent Fe(4)Th2Fe10 cuboctahedra, corners with four equivalent Fe(7)Th2Fe10 cuboctahedra, corners with four equivalent Fe(1)Th3Fe9 cuboctahedra, corners with two equivalent C(1)Th2Fe4 octahedra, edges with four equivalent Fe(7)Th2Fe10 cuboctahedra, edges with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with four equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(7)Th2Fe10 cuboctahedra, and faces with four equivalent Fe(1)Th3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the fourth Fe site, Fe(4) is bonded to two equivalent Th(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeTh2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Th2Fe10 cuboctahedra, corners with two equivalent Fe(4)Th2Fe10 cuboctahedra, corners with six equivalent Fe(7)Th2Fe10 cuboctahedra, corners with eight equivalent Fe(1)Th3Fe9 cuboctahedra, edges with two equivalent Fe(7)Th2Fe10 cuboctahedra, edges with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with two equivalent Fe(3)Th2Fe10 cuboctahedra, faces with two equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with six equivalent Fe(7)Th2Fe10 cuboctahedra, and faces with two equivalent C(1)Th2Fe4 octahedra. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Th(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(7) atoms. In the sixth Fe site, Fe(6) is bonded in a single-bond geometry to two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(7), and one C(1) atom. In the seventh Fe site, Fe(7) is bonded to two equivalent Th(1), one Fe(2), one Fe(3), one Fe(4), one Fe(6), one Fe(7), two equivalent Fe(5), and three equivalent Fe(1) atoms to form distorted FeTh2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Th2Fe10 cuboctahedra, corners with three equivalent Fe(4)Th2Fe10 cuboctahedra, corners with five equivalent Fe(1)Th3Fe9 cuboctahedra, corners with seven equivalent Fe(7)Th2Fe10 cuboctahedra, corners with two equivalent C(1)Th2Fe4 octahedra,  an edgeedge with one Fe(3)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Th3Fe9 cuboctahedra,  an edgeedge with one C(1)Th2Fe4 octahedra,  a faceface with one Fe(3)Th2Fe10 cuboctahedra, faces with three equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(7)Th2Fe10 cuboctahedra, and faces with seven equivalent Fe(1)Th3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 24-30°. C(1) is bonded to two equivalent Th(1), two equivalent Fe(2), and two equivalent Fe(6) atoms to form CTh2Fe4 octahedra that share corners with two equivalent Fe(3)Th2Fe10 cuboctahedra, corners with eight equivalent Fe(7)Th2Fe10 cuboctahedra, corners with eight equivalent Fe(1)Th3Fe9 cuboctahedra, edges with four equivalent Fe(7)Th2Fe10 cuboctahedra, faces with four equivalent Fe(4)Th2Fe10 cuboctahedra, and faces with four equivalent Fe(1)Th3Fe9 cuboctahedra. is represented by the CIF file [CIF]
data_Th2Fe17C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.486
_cell_length_c   6.499
_cell_angle_alpha   83.927
_cell_angle_beta   83.927
_cell_angle_gamma   83.198
_symmetry_Int_Tables_number   1
_cell_volume   268.732
_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  0.335  0.335  0.355  1.0
  Th  Th1  1  0.665  0.665  0.645  1.0
  Fe  Fe2  1  0.150  0.658  0.657  1.0
  Fe  Fe3  1  0.657  0.657  0.149  1.0
  Fe  Fe4  1  0.658  0.150  0.657  1.0
  Fe  Fe5  1  0.850  0.342  0.343  1.0
  Fe  Fe6  1  0.343  0.343  0.851  1.0
  Fe  Fe7  1  0.342  0.850  0.343  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.000  0.000  1.0
  Fe  Fe11  1  0.096  0.096  0.096  1.0
  Fe  Fe12  1  0.904  0.904  0.904  1.0
  Fe  Fe13  1  0.716  0.284  0.000  1.0
  Fe  Fe14  1  0.283  0.998  0.718  1.0
  Fe  Fe15  1  0.002  0.717  0.282  1.0
  Fe  Fe16  1  0.717  0.002  0.282  1.0
  Fe  Fe17  1  0.998  0.283  0.718  1.0
  Fe  Fe18  1  0.284  0.716  0.000  1.0
  C  C19  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by Th2Fe17C crystallizes in the monoclinic C2/m space group. Th(1) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(5), two equivalent Fe(4), four equivalent Fe(7), six equivalent Fe(1), and one C(1) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Th(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and three equivalent Fe(7) atoms to form distorted FeTh3Fe9 cuboctahedra that share  a cornercorner with one Fe(3)Th2Fe10 cuboctahedra, corners with four equivalent Fe(4)Th2Fe10 cuboctahedra, corners with five equivalent Fe(7)Th2Fe10 cuboctahedra, corners with seven equivalent Fe(1)Th3Fe9 cuboctahedra, corners with two equivalent C(1)Th2Fe4 octahedra,  an edgeedge with one Fe(3)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Th2Fe10 cuboctahedra, edges with two equivalent Fe(4)Th2Fe10 cuboctahedra, edges with three equivalent Fe(1)Th3Fe9 cuboctahedra,  a faceface with one Fe(3)Th2Fe10 cuboctahedra, faces with two equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with seven equivalent Fe(7)Th2Fe10 cuboctahedra, and  a faceface with one C(1)Th2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(5), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(7), and one C(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Th(1), two equivalent Fe(5), four equivalent Fe(1), and four equivalent Fe(7) atoms to form FeTh2Fe10 cuboctahedra that share corners with four equivalent Fe(4)Th2Fe10 cuboctahedra, corners with four equivalent Fe(7)Th2Fe10 cuboctahedra, corners with four equivalent Fe(1)Th3Fe9 cuboctahedra, corners with two equivalent C(1)Th2Fe4 octahedra, edges with four equivalent Fe(7)Th2Fe10 cuboctahedra, edges with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with four equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(7)Th2Fe10 cuboctahedra, and faces with four equivalent Fe(1)Th3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the fourth Fe site, Fe(4) is bonded to two equivalent Th(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeTh2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Th2Fe10 cuboctahedra, corners with two equivalent Fe(4)Th2Fe10 cuboctahedra, corners with six equivalent Fe(7)Th2Fe10 cuboctahedra, corners with eight equivalent Fe(1)Th3Fe9 cuboctahedra, edges with two equivalent Fe(7)Th2Fe10 cuboctahedra, edges with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with two equivalent Fe(3)Th2Fe10 cuboctahedra, faces with two equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(1)Th3Fe9 cuboctahedra, faces with six equivalent Fe(7)Th2Fe10 cuboctahedra, and faces with two equivalent C(1)Th2Fe4 octahedra. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Th(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(7) atoms. In the sixth Fe site, Fe(6) is bonded in a single-bond geometry to two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(7), and one C(1) atom. In the seventh Fe site, Fe(7) is bonded to two equivalent Th(1), one Fe(2), one Fe(3), one Fe(4), one Fe(6), one Fe(7), two equivalent Fe(5), and three equivalent Fe(1) atoms to form distorted FeTh2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Th2Fe10 cuboctahedra, corners with three equivalent Fe(4)Th2Fe10 cuboctahedra, corners with five equivalent Fe(1)Th3Fe9 cuboctahedra, corners with seven equivalent Fe(7)Th2Fe10 cuboctahedra, corners with two equivalent C(1)Th2Fe4 octahedra,  an edgeedge with one Fe(3)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Th2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Th3Fe9 cuboctahedra,  an edgeedge with one C(1)Th2Fe4 octahedra,  a faceface with one Fe(3)Th2Fe10 cuboctahedra, faces with three equivalent Fe(4)Th2Fe10 cuboctahedra, faces with four equivalent Fe(7)Th2Fe10 cuboctahedra, and faces with seven equivalent Fe(1)Th3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 24-30°. C(1) is bonded to two equivalent Th(1), two equivalent Fe(2), and two equivalent Fe(6) atoms to form CTh2Fe4 octahedra that share corners with two equivalent Fe(3)Th2Fe10 cuboctahedra, corners with eight equivalent Fe(7)Th2Fe10 cuboctahedra, corners with eight equivalent Fe(1)Th3Fe9 cuboctahedra, edges with four equivalent Fe(7)Th2Fe10 cuboctahedra, faces with four equivalent Fe(4)Th2Fe10 cuboctahedra, and faces with four equivalent Fe(1)Th3Fe9 cuboctahedra. is represented by the CIF file [CIF]
data_Th2Fe17C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.486
_cell_length_c   6.499
_cell_angle_alpha   83.927
_cell_angle_beta   83.927
_cell_angle_gamma   83.198
_symmetry_Int_Tables_number   1
_cell_volume   268.732
_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  0.335  0.335  0.355  1.0
  Th  Th1  1  0.665  0.665  0.645  1.0
  Fe  Fe2  1  0.150  0.658  0.657  1.0
  Fe  Fe3  1  0.657  0.657  0.149  1.0
  Fe  Fe4  1  0.658  0.150  0.657  1.0
  Fe  Fe5  1  0.850  0.342  0.343  1.0
  Fe  Fe6  1  0.343  0.343  0.851  1.0
  Fe  Fe7  1  0.342  0.850  0.343  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.000  0.000  1.0
  Fe  Fe11  1  0.096  0.096  0.096  1.0
  Fe  Fe12  1  0.904  0.904  0.904  1.0
  Fe  Fe13  1  0.716  0.284  0.000  1.0
  Fe  Fe14  1  0.283  0.998  0.718  1.0
  Fe  Fe15  1  0.002  0.717  0.282  1.0
  Fe  Fe16  1  0.717  0.002  0.282  1.0
  Fe  Fe17  1  0.998  0.283  0.718  1.0
  Fe  Fe18  1  0.284  0.716  0.000  1.0
  C  C19  1  0.500  0.500  0.000  1.0
[/CIF]
.