The compound described by Tm4Fe34C3 crystallizes in the triclinic P-1 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a distorted bent 120 degrees geometry to one Fe(11), one Fe(12), one Fe(7), one Fe(9), two equivalent Fe(17), three equivalent Fe(5), one C(1), and one C(2) atom. In the second Tm site, Tm(2) is bonded in a distorted single-bond geometry to one Fe(10), one Fe(11), one Fe(12), one Fe(8), two equivalent Fe(16), two equivalent Fe(18), three equivalent Fe(4), three equivalent Fe(6), and one C(1) atom. There are eighteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(17), one Fe(5), one Fe(8), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(16), one Fe(18), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(12), one Fe(17), one Fe(5), one Fe(7), one Fe(9), and one C(2) atom. In the fourth Fe site, Fe(4) is bonded to three equivalent Tm(2), one Fe(10), one Fe(12), one Fe(13), one Fe(18), one Fe(2), one Fe(6), one Fe(8), and two equivalent Fe(16) atoms to form FeTm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(12)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra,  an edgeedge with one Fe(10)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(18)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(12)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra, faces with three equivalent Fe(18)Tm2Fe10 cuboctahedra, faces with three equivalent Fe(6)Tm3Fe9 cuboctahedra, and  a faceface with one C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. In the fifth Fe site, Fe(5) is bonded to three equivalent Tm(1), one Fe(1), one Fe(11), one Fe(13), one Fe(15), one Fe(3), one Fe(7), one Fe(9), and two equivalent Fe(17) atoms to form FeTm3Fe9 cuboctahedra that share  a cornercorner with one Fe(11)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Tm3Fe9 cuboctahedra,  a cornercorner with one Fe(6)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, corners with two equivalent C(2)Tm2Fe4 octahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(12)Tm2Fe10 cuboctahedra,  a faceface with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(9)Tm2Fe10 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one C(1)Tm2Fe4 octahedra, and  a faceface with one C(2)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the sixth Fe site, Fe(6) is bonded to three equivalent Tm(2), one Fe(10), one Fe(11), one Fe(14), one Fe(16), one Fe(2), one Fe(4), one Fe(8), and two equivalent Fe(18) atoms to form FeTm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra,  an edgeedge with one Fe(10)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Tm3Fe9 cuboctahedra, edges with two equivalent Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(12)Tm2Fe10 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with three equivalent Fe(18)Tm2Fe10 cuboctahedra, faces with three equivalent Fe(4)Tm3Fe9 cuboctahedra, and  a faceface with one C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Tm(1), one Fe(11), one Fe(12), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(17), one Fe(18), one Fe(2), one Fe(3), one Fe(5), one Fe(8), and one Fe(9) atom. In the eighth Fe site, Fe(8) is bonded in a 14-coordinate geometry to one Tm(2), one Fe(1), one Fe(10), one Fe(11), one Fe(12), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(17), one Fe(18), one Fe(4), one Fe(6), and one Fe(7) atom. In the ninth Fe site, Fe(9) is bonded to two equivalent Tm(1), two equivalent Fe(15), two equivalent Fe(17), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(7) atoms to form FeTm2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, edges with two equivalent Fe(5)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tm3Fe9 cuboctahedra, and faces with two equivalent C(2)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the tenth Fe site, Fe(10) is bonded to two equivalent Tm(2), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(8) atoms to form FeTm2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, edges with two equivalent Fe(18)Tm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Tm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(18)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Tm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Tm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the eleventh Fe site, Fe(11) is bonded to one Tm(1), one Tm(2), one Fe(1), one Fe(13), one Fe(14), one Fe(17), one Fe(18), one Fe(2), one Fe(5), one Fe(6), one Fe(7), and one Fe(8) atom to form distorted FeTm2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Tm3Fe9 cuboctahedra,  a cornercorner with one Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(4)Tm3Fe9 cuboctahedra,  a cornercorner with one C(2)Tm2Fe4 octahedra,  an edgeedge with one Fe(18)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(9)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, and faces with two equivalent C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the twelfth Fe site, Fe(12) is bonded to one Tm(1), one Tm(2), one Fe(1), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(2), one Fe(3), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted FeTm2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(6)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(9)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one C(2)Tm2Fe4 octahedra, and faces with two equivalent C(1)Tm2Fe4 octahedra. In the thirteenth Fe site, Fe(13) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(18), one Fe(4), one Fe(5), one Fe(7), one Fe(8), and one C(1) atom. In the fourteenth Fe site, Fe(14) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(16), one Fe(17), one Fe(6), one Fe(7), one Fe(8), and one C(1) atom. In the fifteenth Fe site, Fe(15) is bonded in a single-bond geometry to one Fe(12), one Fe(17), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and one C(2) atom. In the sixteenth Fe site, Fe(16) is bonded in a 12-coordinate geometry to two equivalent Tm(2), one Fe(10), one Fe(12), one Fe(14), one Fe(18), one Fe(2), one Fe(6), one Fe(7), one Fe(8), and two equivalent Fe(4) atoms. In the seventeenth Fe site, Fe(17) is bonded in a 12-coordinate geometry to two equivalent Tm(1), one Fe(1), one Fe(11), one Fe(14), one Fe(15), one Fe(3), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(5) atoms. In the eighteenth Fe site, Fe(18) is bonded to two equivalent Tm(2), one Fe(10), one Fe(11), one Fe(13), one Fe(16), one Fe(2), one Fe(4), one Fe(7), one Fe(8), and two equivalent Fe(6) atoms to form distorted FeTm2Fe10 cuboctahedra that share  a cornercorner with one Fe(11)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra,  an edgeedge with one Fe(10)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra,  an edgeedge with one C(1)Tm2Fe4 octahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with three equivalent Fe(4)Tm3Fe9 cuboctahedra, and faces with three equivalent Fe(6)Tm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Tm(1), one Tm(2), one Fe(1), one Fe(13), one Fe(14), and one Fe(2) atom to form CTm2Fe4 octahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra,  a cornercorner with one C(2)Tm2Fe4 octahedra,  an edgeedge with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, and faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. In the second C site, C(2) is bonded to two equivalent Tm(1), two equivalent Fe(15), and two equivalent Fe(3) atoms to form CTm2Fe4 octahedra that share corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with four equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tm2Fe10 cuboctahedra, and faces with two equivalent Fe(5)Tm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm4Fe34C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.454
_cell_length_b   6.415
_cell_length_c   12.849
_cell_angle_alpha   82.798
_cell_angle_beta   83.339
_cell_angle_gamma   83.647
_symmetry_Int_Tables_number   1
_cell_volume   521.720
_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
  Tm  Tm0  1  0.664  0.655  0.328  1.0
  Tm  Tm1  1  0.661  0.661  0.827  1.0
  Tm  Tm2  1  0.336  0.345  0.172  1.0
  Tm  Tm3  1  0.339  0.339  0.673  1.0
  Fe  Fe4  1  0.342  0.345  0.426  1.0
  Fe  Fe5  1  0.344  0.343  0.924  1.0
  Fe  Fe6  1  0.343  0.851  0.172  1.0
  Fe  Fe7  1  0.344  0.849  0.673  1.0
  Fe  Fe8  1  0.852  0.345  0.173  1.0
  Fe  Fe9  1  0.848  0.345  0.673  1.0
  Fe  Fe10  1  0.658  0.655  0.074  1.0
  Fe  Fe11  1  0.656  0.657  0.576  1.0
  Fe  Fe12  1  0.657  0.149  0.328  1.0
  Fe  Fe13  1  0.656  0.151  0.827  1.0
  Fe  Fe14  1  0.148  0.655  0.327  1.0
  Fe  Fe15  1  0.152  0.655  0.827  1.0
  Fe  Fe16  1  0.902  0.904  0.453  1.0
  Fe  Fe17  1  0.905  0.904  0.950  1.0
  Fe  Fe18  1  0.098  0.096  0.047  1.0
  Fe  Fe19  1  0.095  0.096  0.550  1.0
  Fe  Fe20  1  0.000  0.000  0.250  1.0
  Fe  Fe21  1  0.000  0.000  0.750  1.0
  Fe  Fe22  1  0.999  0.500  0.500  1.0
  Fe  Fe23  1  0.001  0.500  1.000  1.0
  Fe  Fe24  1  0.501  0.997  0.999  1.0
  Fe  Fe25  1  0.499  0.003  0.501  1.0
  Fe  Fe26  1  0.284  0.716  0.500  1.0
  Fe  Fe27  1  0.284  0.716  1.000  1.0
  Fe  Fe28  1  0.716  0.999  0.142  1.0
  Fe  Fe29  1  0.707  0.000  0.647  1.0
  Fe  Fe30  1  0.001  0.292  0.354  1.0
  Fe  Fe31  1  0.999  0.293  0.853  1.0
  Fe  Fe32  1  0.284  0.001  0.358  1.0
  Fe  Fe33  1  0.293  1.000  0.853  1.0
  Fe  Fe34  1  0.999  0.708  0.146  1.0
  Fe  Fe35  1  0.001  0.707  0.647  1.0
  Fe  Fe36  1  0.716  0.284  1.000  1.0
  Fe  Fe37  1  0.716  0.284  0.500  1.0
  C  C38  1  0.499  0.499  0.999  1.0
  C  C39  1  0.501  0.501  0.501  1.0
  C  C40  1  0.500  0.000  0.250  1.0
[/CIF]
.
The compound described by Tm4Fe34C3 crystallizes in the triclinic P-1 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a distorted bent 120 degrees geometry to one Fe(11), one Fe(12), one Fe(7), one Fe(9), two equivalent Fe(17), three equivalent Fe(5), one C(1), and one C(2) atom. In the second Tm site, Tm(2) is bonded in a distorted single-bond geometry to one Fe(10), one Fe(11), one Fe(12), one Fe(8), two equivalent Fe(16), two equivalent Fe(18), three equivalent Fe(4), three equivalent Fe(6), and one C(1) atom. There are eighteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(17), one Fe(5), one Fe(8), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(16), one Fe(18), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(12), one Fe(17), one Fe(5), one Fe(7), one Fe(9), and one C(2) atom. In the fourth Fe site, Fe(4) is bonded to three equivalent Tm(2), one Fe(10), one Fe(12), one Fe(13), one Fe(18), one Fe(2), one Fe(6), one Fe(8), and two equivalent Fe(16) atoms to form FeTm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(12)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra,  an edgeedge with one Fe(10)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(18)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(12)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra, faces with three equivalent Fe(18)Tm2Fe10 cuboctahedra, faces with three equivalent Fe(6)Tm3Fe9 cuboctahedra, and  a faceface with one C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. In the fifth Fe site, Fe(5) is bonded to three equivalent Tm(1), one Fe(1), one Fe(11), one Fe(13), one Fe(15), one Fe(3), one Fe(7), one Fe(9), and two equivalent Fe(17) atoms to form FeTm3Fe9 cuboctahedra that share  a cornercorner with one Fe(11)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Tm3Fe9 cuboctahedra,  a cornercorner with one Fe(6)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, corners with two equivalent C(2)Tm2Fe4 octahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(12)Tm2Fe10 cuboctahedra,  a faceface with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(9)Tm2Fe10 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one C(1)Tm2Fe4 octahedra, and  a faceface with one C(2)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the sixth Fe site, Fe(6) is bonded to three equivalent Tm(2), one Fe(10), one Fe(11), one Fe(14), one Fe(16), one Fe(2), one Fe(4), one Fe(8), and two equivalent Fe(18) atoms to form FeTm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra,  an edgeedge with one Fe(10)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Tm3Fe9 cuboctahedra, edges with two equivalent Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(12)Tm2Fe10 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with three equivalent Fe(18)Tm2Fe10 cuboctahedra, faces with three equivalent Fe(4)Tm3Fe9 cuboctahedra, and  a faceface with one C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Tm(1), one Fe(11), one Fe(12), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(17), one Fe(18), one Fe(2), one Fe(3), one Fe(5), one Fe(8), and one Fe(9) atom. In the eighth Fe site, Fe(8) is bonded in a 14-coordinate geometry to one Tm(2), one Fe(1), one Fe(10), one Fe(11), one Fe(12), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(17), one Fe(18), one Fe(4), one Fe(6), and one Fe(7) atom. In the ninth Fe site, Fe(9) is bonded to two equivalent Tm(1), two equivalent Fe(15), two equivalent Fe(17), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(7) atoms to form FeTm2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, edges with two equivalent Fe(5)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tm3Fe9 cuboctahedra, and faces with two equivalent C(2)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the tenth Fe site, Fe(10) is bonded to two equivalent Tm(2), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(8) atoms to form FeTm2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, edges with two equivalent Fe(18)Tm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Tm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(18)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Tm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Tm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the eleventh Fe site, Fe(11) is bonded to one Tm(1), one Tm(2), one Fe(1), one Fe(13), one Fe(14), one Fe(17), one Fe(18), one Fe(2), one Fe(5), one Fe(6), one Fe(7), and one Fe(8) atom to form distorted FeTm2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Tm3Fe9 cuboctahedra,  a cornercorner with one Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(4)Tm3Fe9 cuboctahedra,  a cornercorner with one C(2)Tm2Fe4 octahedra,  an edgeedge with one Fe(18)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(9)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, and faces with two equivalent C(1)Tm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the twelfth Fe site, Fe(12) is bonded to one Tm(1), one Tm(2), one Fe(1), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(2), one Fe(3), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted FeTm2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with three equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with three equivalent Fe(6)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Tm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Tm3Fe9 cuboctahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(9)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one C(2)Tm2Fe4 octahedra, and faces with two equivalent C(1)Tm2Fe4 octahedra. In the thirteenth Fe site, Fe(13) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(18), one Fe(4), one Fe(5), one Fe(7), one Fe(8), and one C(1) atom. In the fourteenth Fe site, Fe(14) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(16), one Fe(17), one Fe(6), one Fe(7), one Fe(8), and one C(1) atom. In the fifteenth Fe site, Fe(15) is bonded in a single-bond geometry to one Fe(12), one Fe(17), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and one C(2) atom. In the sixteenth Fe site, Fe(16) is bonded in a 12-coordinate geometry to two equivalent Tm(2), one Fe(10), one Fe(12), one Fe(14), one Fe(18), one Fe(2), one Fe(6), one Fe(7), one Fe(8), and two equivalent Fe(4) atoms. In the seventeenth Fe site, Fe(17) is bonded in a 12-coordinate geometry to two equivalent Tm(1), one Fe(1), one Fe(11), one Fe(14), one Fe(15), one Fe(3), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(5) atoms. In the eighteenth Fe site, Fe(18) is bonded to two equivalent Tm(2), one Fe(10), one Fe(11), one Fe(13), one Fe(16), one Fe(2), one Fe(4), one Fe(7), one Fe(8), and two equivalent Fe(6) atoms to form distorted FeTm2Fe10 cuboctahedra that share  a cornercorner with one Fe(11)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(12)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra,  an edgeedge with one Fe(10)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Tm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Tm3Fe9 cuboctahedra,  an edgeedge with one C(1)Tm2Fe4 octahedra,  a faceface with one Fe(10)Tm2Fe10 cuboctahedra,  a faceface with one Fe(11)Tm2Fe10 cuboctahedra,  a faceface with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with three equivalent Fe(4)Tm3Fe9 cuboctahedra, and faces with three equivalent Fe(6)Tm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Tm(1), one Tm(2), one Fe(1), one Fe(13), one Fe(14), and one Fe(2) atom to form CTm2Fe4 octahedra that share  a cornercorner with one Fe(10)Tm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(18)Tm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Tm3Fe9 cuboctahedra,  a cornercorner with one C(2)Tm2Fe4 octahedra,  an edgeedge with one Fe(18)Tm2Fe10 cuboctahedra,  a faceface with one Fe(4)Tm3Fe9 cuboctahedra,  a faceface with one Fe(5)Tm3Fe9 cuboctahedra,  a faceface with one Fe(6)Tm3Fe9 cuboctahedra, faces with two equivalent Fe(11)Tm2Fe10 cuboctahedra, and faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. In the second C site, C(2) is bonded to two equivalent Tm(1), two equivalent Fe(15), and two equivalent Fe(3) atoms to form CTm2Fe4 octahedra that share corners with two equivalent Fe(11)Tm2Fe10 cuboctahedra, corners with four equivalent Fe(5)Tm3Fe9 cuboctahedra, corners with two equivalent C(1)Tm2Fe4 octahedra, faces with two equivalent Fe(12)Tm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tm2Fe10 cuboctahedra, and faces with two equivalent Fe(5)Tm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm4Fe34C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.454
_cell_length_b   6.415
_cell_length_c   12.849
_cell_angle_alpha   82.798
_cell_angle_beta   83.339
_cell_angle_gamma   83.647
_symmetry_Int_Tables_number   1
_cell_volume   521.720
_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
  Tm  Tm0  1  0.664  0.655  0.328  1.0
  Tm  Tm1  1  0.661  0.661  0.827  1.0
  Tm  Tm2  1  0.336  0.345  0.172  1.0
  Tm  Tm3  1  0.339  0.339  0.673  1.0
  Fe  Fe4  1  0.342  0.345  0.426  1.0
  Fe  Fe5  1  0.344  0.343  0.924  1.0
  Fe  Fe6  1  0.343  0.851  0.172  1.0
  Fe  Fe7  1  0.344  0.849  0.673  1.0
  Fe  Fe8  1  0.852  0.345  0.173  1.0
  Fe  Fe9  1  0.848  0.345  0.673  1.0
  Fe  Fe10  1  0.658  0.655  0.074  1.0
  Fe  Fe11  1  0.656  0.657  0.576  1.0
  Fe  Fe12  1  0.657  0.149  0.328  1.0
  Fe  Fe13  1  0.656  0.151  0.827  1.0
  Fe  Fe14  1  0.148  0.655  0.327  1.0
  Fe  Fe15  1  0.152  0.655  0.827  1.0
  Fe  Fe16  1  0.902  0.904  0.453  1.0
  Fe  Fe17  1  0.905  0.904  0.950  1.0
  Fe  Fe18  1  0.098  0.096  0.047  1.0
  Fe  Fe19  1  0.095  0.096  0.550  1.0
  Fe  Fe20  1  0.000  0.000  0.250  1.0
  Fe  Fe21  1  0.000  0.000  0.750  1.0
  Fe  Fe22  1  0.999  0.500  0.500  1.0
  Fe  Fe23  1  0.001  0.500  1.000  1.0
  Fe  Fe24  1  0.501  0.997  0.999  1.0
  Fe  Fe25  1  0.499  0.003  0.501  1.0
  Fe  Fe26  1  0.284  0.716  0.500  1.0
  Fe  Fe27  1  0.284  0.716  1.000  1.0
  Fe  Fe28  1  0.716  0.999  0.142  1.0
  Fe  Fe29  1  0.707  0.000  0.647  1.0
  Fe  Fe30  1  0.001  0.292  0.354  1.0
  Fe  Fe31  1  0.999  0.293  0.853  1.0
  Fe  Fe32  1  0.284  0.001  0.358  1.0
  Fe  Fe33  1  0.293  1.000  0.853  1.0
  Fe  Fe34  1  0.999  0.708  0.146  1.0
  Fe  Fe35  1  0.001  0.707  0.647  1.0
  Fe  Fe36  1  0.716  0.284  1.000  1.0
  Fe  Fe37  1  0.716  0.284  0.500  1.0
  C  C38  1  0.499  0.499  0.999  1.0
  C  C39  1  0.501  0.501  0.501  1.0
  C  C40  1  0.500  0.000  0.250  1.0
[/CIF]
.