The structure described by Tm2Fe17C3 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2), six equivalent Fe(4), and three equivalent C(1) atoms. In the second Tm site, Tm(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2), six equivalent Fe(4), and three equivalent C(1) atoms. In the third Tm site, Tm(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded to two Tm(1,1); two equivalent Fe(2); four equivalent Fe(1); and four equivalent Fe(3) atoms to form FeTm2Fe10 cuboctahedra that share corners with four equivalent Fe(4)Tm2Fe10 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, faces with six equivalent Fe(4)Tm2Fe10 cuboctahedra, and faces with four equivalent C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Fe(2), two equivalent Fe(4), and one C(1) atom. In the third Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Tm(1), one Fe(2), three equivalent Fe(3), three equivalent Fe(4), and six equivalent Fe(1) atoms. In the fourth Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(2), two equivalent Fe(4), and one C(1) atom. C(1) is bonded to one Tm(1), one Tm(2), two equivalent Fe(1), and two equivalent Fe(3) atoms to form CTm2Fe4 octahedra that share corners with two equivalent Fe(4)Tm2Fe10 cuboctahedra, corners with four equivalent C(1)Tm2Fe4 octahedra, and faces with four equivalent Fe(4)Tm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF file [CIF]
data_Tm2Fe17C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.328
_cell_length_b   8.599
_cell_length_c   8.599
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.317
_cell_formula_units_Z   2
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
  Tm  Tm0  1  0.750  0.667  0.333  1.0
  Tm  Tm1  1  0.250  0.333  0.667  1.0
  Tm  Tm2  1  0.750  0.000  0.000  1.0
  Tm  Tm3  1  0.250  0.000  0.000  1.0
  Fe  Fe4  1  0.750  0.622  0.674  1.0
  Fe  Fe5  1  0.250  0.378  0.326  1.0
  Fe  Fe6  1  0.750  0.052  0.378  1.0
  Fe  Fe7  1  0.250  0.948  0.326  1.0
  Fe  Fe8  1  0.250  0.948  0.622  1.0
  Fe  Fe9  1  0.750  0.052  0.674  1.0
  Fe  Fe10  1  0.750  0.326  0.948  1.0
  Fe  Fe11  1  0.250  0.674  0.622  1.0
  Fe  Fe12  1  0.250  0.674  0.052  1.0
  Fe  Fe13  1  0.750  0.326  0.378  1.0
  Fe  Fe14  1  0.250  0.378  0.052  1.0
  Fe  Fe15  1  0.750  0.622  0.948  1.0
  Fe  Fe16  1  0.393  0.667  0.333  1.0
  Fe  Fe17  1  0.607  0.333  0.667  1.0
  Fe  Fe18  1  0.893  0.333  0.667  1.0
  Fe  Fe19  1  0.107  0.667  0.333  1.0
  Fe  Fe20  1  0.980  0.832  0.168  1.0
  Fe  Fe21  1  0.020  0.168  0.832  1.0
  Fe  Fe22  1  0.980  0.336  0.168  1.0
  Fe  Fe23  1  0.480  0.168  0.832  1.0
  Fe  Fe24  1  0.020  0.664  0.832  1.0
  Fe  Fe25  1  0.520  0.832  0.168  1.0
  Fe  Fe26  1  0.980  0.832  0.664  1.0
  Fe  Fe27  1  0.480  0.664  0.832  1.0
  Fe  Fe28  1  0.020  0.168  0.336  1.0
  Fe  Fe29  1  0.520  0.336  0.168  1.0
  Fe  Fe30  1  0.480  0.168  0.336  1.0
  Fe  Fe31  1  0.520  0.832  0.664  1.0
  Fe  Fe32  1  0.000  0.500  0.500  1.0
  Fe  Fe33  1  0.000  0.000  0.500  1.0
  Fe  Fe34  1  0.500  0.500  0.500  1.0
  Fe  Fe35  1  0.000  0.500  0.000  1.0
  Fe  Fe36  1  0.500  0.000  0.500  1.0
  Fe  Fe37  1  0.500  0.500  0.000  1.0
  C  C38  1  0.750  0.835  0.165  1.0
  C  C39  1  0.250  0.165  0.835  1.0
  C  C40  1  0.750  0.331  0.165  1.0
  C  C41  1  0.250  0.669  0.835  1.0
  C  C42  1  0.750  0.835  0.669  1.0
  C  C43  1  0.250  0.165  0.331  1.0
[/CIF]
.
The structure described by Tm2Fe17C3 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2), six equivalent Fe(4), and three equivalent C(1) atoms. In the second Tm site, Tm(1) is bonded in a distorted trigonal planar geometry to two equivalent Fe(2), six equivalent Fe(4), and three equivalent C(1) atoms. In the third Tm site, Tm(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded to two Tm(1,1); two equivalent Fe(2); four equivalent Fe(1); and four equivalent Fe(3) atoms to form FeTm2Fe10 cuboctahedra that share corners with four equivalent Fe(4)Tm2Fe10 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, faces with six equivalent Fe(4)Tm2Fe10 cuboctahedra, and faces with four equivalent C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. In the second Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Fe(2), two equivalent Fe(4), and one C(1) atom. In the third Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Tm(1), one Fe(2), three equivalent Fe(3), three equivalent Fe(4), and six equivalent Fe(1) atoms. In the fourth Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(2), two equivalent Fe(4), and one C(1) atom. C(1) is bonded to one Tm(1), one Tm(2), two equivalent Fe(1), and two equivalent Fe(3) atoms to form CTm2Fe4 octahedra that share corners with two equivalent Fe(4)Tm2Fe10 cuboctahedra, corners with four equivalent C(1)Tm2Fe4 octahedra, and faces with four equivalent Fe(4)Tm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF file [CIF]
data_Tm2Fe17C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.328
_cell_length_b   8.599
_cell_length_c   8.599
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.317
_cell_formula_units_Z   2
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
  Tm  Tm0  1  0.750  0.667  0.333  1.0
  Tm  Tm1  1  0.250  0.333  0.667  1.0
  Tm  Tm2  1  0.750  0.000  0.000  1.0
  Tm  Tm3  1  0.250  0.000  0.000  1.0
  Fe  Fe4  1  0.750  0.622  0.674  1.0
  Fe  Fe5  1  0.250  0.378  0.326  1.0
  Fe  Fe6  1  0.750  0.052  0.378  1.0
  Fe  Fe7  1  0.250  0.948  0.326  1.0
  Fe  Fe8  1  0.250  0.948  0.622  1.0
  Fe  Fe9  1  0.750  0.052  0.674  1.0
  Fe  Fe10  1  0.750  0.326  0.948  1.0
  Fe  Fe11  1  0.250  0.674  0.622  1.0
  Fe  Fe12  1  0.250  0.674  0.052  1.0
  Fe  Fe13  1  0.750  0.326  0.378  1.0
  Fe  Fe14  1  0.250  0.378  0.052  1.0
  Fe  Fe15  1  0.750  0.622  0.948  1.0
  Fe  Fe16  1  0.393  0.667  0.333  1.0
  Fe  Fe17  1  0.607  0.333  0.667  1.0
  Fe  Fe18  1  0.893  0.333  0.667  1.0
  Fe  Fe19  1  0.107  0.667  0.333  1.0
  Fe  Fe20  1  0.980  0.832  0.168  1.0
  Fe  Fe21  1  0.020  0.168  0.832  1.0
  Fe  Fe22  1  0.980  0.336  0.168  1.0
  Fe  Fe23  1  0.480  0.168  0.832  1.0
  Fe  Fe24  1  0.020  0.664  0.832  1.0
  Fe  Fe25  1  0.520  0.832  0.168  1.0
  Fe  Fe26  1  0.980  0.832  0.664  1.0
  Fe  Fe27  1  0.480  0.664  0.832  1.0
  Fe  Fe28  1  0.020  0.168  0.336  1.0
  Fe  Fe29  1  0.520  0.336  0.168  1.0
  Fe  Fe30  1  0.480  0.168  0.336  1.0
  Fe  Fe31  1  0.520  0.832  0.664  1.0
  Fe  Fe32  1  0.000  0.500  0.500  1.0
  Fe  Fe33  1  0.000  0.000  0.500  1.0
  Fe  Fe34  1  0.500  0.500  0.500  1.0
  Fe  Fe35  1  0.000  0.500  0.000  1.0
  Fe  Fe36  1  0.500  0.000  0.500  1.0
  Fe  Fe37  1  0.500  0.500  0.000  1.0
  C  C38  1  0.750  0.835  0.165  1.0
  C  C39  1  0.250  0.165  0.835  1.0
  C  C40  1  0.750  0.331  0.165  1.0
  C  C41  1  0.250  0.669  0.835  1.0
  C  C42  1  0.750  0.835  0.669  1.0
  C  C43  1  0.250  0.165  0.331  1.0
[/CIF]
.