The material structure described by Tb2Fe17C crystallizes in the monoclinic C2/m space group. Tb(1) is bonded in a distorted single-bond geometry to one Fe(5), one Fe(6), two equivalent Fe(7), four equivalent Fe(2), six equivalent Fe(4), and one C(1) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), one Fe(1), one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(5), and three equivalent Fe(4) atoms. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(5), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(7), and one C(1) atom. In the fourth Fe site, Fe(4) is bonded to three equivalent Tb(1), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), and three equivalent Fe(2) atoms to form FeTb3Fe9 cuboctahedra that share  a cornercorner with one Fe(6)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb2Fe10 cuboctahedra, corners with seven equivalent Fe(4)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(6)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(7)Tb2Fe10 cuboctahedra, edges with three equivalent Fe(4)Tb3Fe9 cuboctahedra,  a faceface with one Fe(6)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra, and  a faceface with one C(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-70°. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Tb(1), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(7), and four equivalent Fe(2) atoms. In the sixth Fe site, Fe(6) is bonded to two equivalent Tb(1), two equivalent Fe(5), four equivalent Fe(2), and four equivalent Fe(4) atoms to form FeTb2Fe10 cuboctahedra that share corners with four equivalent Fe(7)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(4)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, edges with four equivalent Fe(4)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(7)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. In the seventh Fe site, Fe(7) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb2Fe10 cuboctahedra, corners with eight equivalent Fe(4)Tb3Fe9 cuboctahedra, edges with four equivalent Fe(4)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra, and faces with two equivalent C(1)Tb2Fe4 octahedra. C(1) is bonded to two equivalent Tb(1), two equivalent Fe(1), and two equivalent Fe(3) atoms to form CTb2Fe4 octahedra that share corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with eight equivalent Fe(4)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(7)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2Fe17C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.449
_cell_length_b   6.425
_cell_length_c   6.449
_cell_angle_alpha   83.356
_cell_angle_beta   83.544
_cell_angle_gamma   83.356
_symmetry_Int_Tables_number   1
_cell_volume   262.340
_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
  Tb  Tb0  1  0.661  0.650  0.661  1.0
  Tb  Tb1  1  0.339  0.350  0.339  1.0
  Fe  Fe2  1  0.715  0.000  0.285  1.0
  Fe  Fe3  1  0.000  0.290  0.711  1.0
  Fe  Fe4  1  0.289  0.710  1.000  1.0
  Fe  Fe5  1  1.000  0.710  0.289  1.0
  Fe  Fe6  1  0.711  0.290  0.000  1.0
  Fe  Fe7  1  0.285  0.000  0.715  1.0
  Fe  Fe8  1  0.343  0.850  0.343  1.0
  Fe  Fe9  1  0.850  0.344  0.343  1.0
  Fe  Fe10  1  0.343  0.344  0.850  1.0
  Fe  Fe11  1  0.657  0.150  0.657  1.0
  Fe  Fe12  1  0.150  0.656  0.657  1.0
  Fe  Fe13  1  0.657  0.656  0.150  1.0
  Fe  Fe14  1  0.903  0.902  0.903  1.0
  Fe  Fe15  1  0.097  0.098  0.097  1.0
  Fe  Fe16  1  0.000  0.500  0.000  1.0
  Fe  Fe17  1  0.500  0.000  0.000  1.0
  Fe  Fe18  1  0.000  0.000  0.500  1.0
  C  C19  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Tb2Fe17C crystallizes in the monoclinic C2/m space group. Tb(1) is bonded in a distorted single-bond geometry to one Fe(5), one Fe(6), two equivalent Fe(7), four equivalent Fe(2), six equivalent Fe(4), and one C(1) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Tb(1), one Fe(1), one Fe(2), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(5), and three equivalent Fe(4) atoms. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(5), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(7), and one C(1) atom. In the fourth Fe site, Fe(4) is bonded to three equivalent Tb(1), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), and three equivalent Fe(2) atoms to form FeTb3Fe9 cuboctahedra that share  a cornercorner with one Fe(6)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb2Fe10 cuboctahedra, corners with seven equivalent Fe(4)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(6)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(7)Tb2Fe10 cuboctahedra, edges with three equivalent Fe(4)Tb3Fe9 cuboctahedra,  a faceface with one Fe(6)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra, and  a faceface with one C(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-70°. In the fifth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Tb(1), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(7), and four equivalent Fe(2) atoms. In the sixth Fe site, Fe(6) is bonded to two equivalent Tb(1), two equivalent Fe(5), four equivalent Fe(2), and four equivalent Fe(4) atoms to form FeTb2Fe10 cuboctahedra that share corners with four equivalent Fe(7)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(4)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, edges with four equivalent Fe(4)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(7)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. In the seventh Fe site, Fe(7) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(5) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb2Fe10 cuboctahedra, corners with eight equivalent Fe(4)Tb3Fe9 cuboctahedra, edges with four equivalent Fe(4)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra, and faces with two equivalent C(1)Tb2Fe4 octahedra. C(1) is bonded to two equivalent Tb(1), two equivalent Fe(1), and two equivalent Fe(3) atoms to form CTb2Fe4 octahedra that share corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with eight equivalent Fe(4)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(7)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(4)Tb3Fe9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2Fe17C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.449
_cell_length_b   6.425
_cell_length_c   6.449
_cell_angle_alpha   83.356
_cell_angle_beta   83.544
_cell_angle_gamma   83.356
_symmetry_Int_Tables_number   1
_cell_volume   262.340
_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
  Tb  Tb0  1  0.661  0.650  0.661  1.0
  Tb  Tb1  1  0.339  0.350  0.339  1.0
  Fe  Fe2  1  0.715  0.000  0.285  1.0
  Fe  Fe3  1  0.000  0.290  0.711  1.0
  Fe  Fe4  1  0.289  0.710  1.000  1.0
  Fe  Fe5  1  1.000  0.710  0.289  1.0
  Fe  Fe6  1  0.711  0.290  0.000  1.0
  Fe  Fe7  1  0.285  0.000  0.715  1.0
  Fe  Fe8  1  0.343  0.850  0.343  1.0
  Fe  Fe9  1  0.850  0.344  0.343  1.0
  Fe  Fe10  1  0.343  0.344  0.850  1.0
  Fe  Fe11  1  0.657  0.150  0.657  1.0
  Fe  Fe12  1  0.150  0.656  0.657  1.0
  Fe  Fe13  1  0.657  0.656  0.150  1.0
  Fe  Fe14  1  0.903  0.902  0.903  1.0
  Fe  Fe15  1  0.097  0.098  0.097  1.0
  Fe  Fe16  1  0.000  0.500  0.000  1.0
  Fe  Fe17  1  0.500  0.000  0.000  1.0
  Fe  Fe18  1  0.000  0.000  0.500  1.0
  C  C19  1  0.500  0.000  0.500  1.0
[/CIF]
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