The compound described by Y4Fe34C3 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(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(5), three equivalent Fe(13), one C(1), and one C(2) atom. In the second Y site, Y(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(4), two equivalent Fe(6), three equivalent Fe(14), three equivalent Fe(18), 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(14), one Fe(4), one Fe(5), one Fe(7), 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(13), one Fe(18), one Fe(6), one Fe(7), one Fe(8), 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(13), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and one C(2) atom. In the fourth Fe site, Fe(4) is bonded to two equivalent Y(2), one Fe(1), one Fe(10), one Fe(12), one Fe(14), one Fe(16), one Fe(6), one Fe(7), one Fe(8), and two equivalent Fe(18) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(12)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with five equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(4)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with three equivalent Fe(14)Y3Fe9 cuboctahedra, and faces with three equivalent Fe(18)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-30°. In the fifth Fe site, Fe(5) is bonded to two equivalent Y(1), one Fe(1), one Fe(11), one Fe(15), one Fe(17), one Fe(3), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(13) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Y2Fe10 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  an edgeedge with one C(2)Y2Fe4 octahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(4)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, and faces with three equivalent Fe(13)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the sixth Fe site, Fe(6) is bonded to two equivalent Y(2), one Fe(10), one Fe(11), one Fe(16), one Fe(18), one Fe(2), one Fe(4), one Fe(7), one Fe(8), and two equivalent Fe(14) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with five equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(4)Y2Fe10 cuboctahedra, faces with three equivalent Fe(14)Y3Fe9 cuboctahedra, and faces with three equivalent Fe(18)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-30°. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Y(1), one Fe(1), one Fe(11), one Fe(12), one Fe(13), one Fe(16), one Fe(17), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(8), and one Fe(9) atom. In the eighth Fe site, Fe(8) is bonded in a 14-coordinate geometry to one Y(2), one Fe(1), one Fe(10), one Fe(11), one Fe(12), one Fe(14), one Fe(15), one Fe(18), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and one Fe(7) atom. In the ninth Fe site, Fe(9) is bonded to two equivalent Y(1), two equivalent Fe(13), two equivalent Fe(17), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(7) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(5)Y2Fe10 cuboctahedra, edges with two equivalent Fe(13)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(13)Y3Fe9 cuboctahedra, and faces with two equivalent C(2)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(2), two equivalent Fe(14), two equivalent Fe(18), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(8) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(4)Y2Fe10 cuboctahedra, edges with two equivalent Fe(6)Y2Fe10 cuboctahedra, edges with two equivalent Fe(14)Y3Fe9 cuboctahedra, edges with two equivalent Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(4)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(14)Y3Fe9 cuboctahedra, and faces with two equivalent Fe(18)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the eleventh Fe site, Fe(11) is bonded to one Y(1), one Y(2), one Fe(1), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(2), one Fe(5), one Fe(6), one Fe(7), and one Fe(8) atom to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra,  a cornercorner with one Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with three equivalent Fe(18)Y3Fe9 cuboctahedra,  a cornercorner with one C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(13)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(4)Y2Fe10 cuboctahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the twelfth Fe site, Fe(12) is bonded to one Y(1), one Y(2), one Fe(1), one Fe(15), one Fe(16), one Fe(17), one Fe(18), one Fe(2), one Fe(3), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with three equivalent Fe(13)Y3Fe9 cuboctahedra, corners with three equivalent Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(13)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(4)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra,  a faceface with one C(2)Y2Fe4 octahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. In the thirteenth Fe site, Fe(13) is bonded to three equivalent Y(1), one Fe(11), one Fe(15), one Fe(17), one Fe(2), one Fe(3), one Fe(7), one Fe(9), and two equivalent Fe(5) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(14)Y3Fe9 cuboctahedra,  a cornercorner with one Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with three equivalent Fe(12)Y2Fe10 cuboctahedra, corners with three equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra, faces with three equivalent Fe(5)Y2Fe10 cuboctahedra,  a faceface with one C(1)Y2Fe4 octahedra, and  a faceface with one C(2)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the fourteenth Fe site, Fe(14) is bonded to three equivalent Y(2), one Fe(1), one Fe(10), one Fe(11), one Fe(16), one Fe(18), one Fe(4), one Fe(8), and two equivalent Fe(6) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with three equivalent Fe(12)Y2Fe10 cuboctahedra, corners with three equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra, edges with two equivalent Fe(18)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra, faces with three equivalent Fe(4)Y2Fe10 cuboctahedra, faces with three equivalent Fe(6)Y2Fe10 cuboctahedra, faces with three equivalent Fe(18)Y3Fe9 cuboctahedra, and  a faceface with one C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the fifteenth Fe site, Fe(15) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(13), one Fe(5), one Fe(8), and one C(1) atom. In the sixteenth Fe site, Fe(16) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(14), one Fe(18), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the seventeenth Fe site, Fe(17) is bonded in a single-bond geometry to one Fe(12), one Fe(13), one Fe(5), one Fe(7), one Fe(9), and one C(2) atom. In the eighteenth Fe site, Fe(18) is bonded to three equivalent Y(2), one Fe(10), one Fe(12), one Fe(14), one Fe(16), one Fe(2), one Fe(6), one Fe(8), and two equivalent Fe(4) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(12)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with three equivalent Fe(11)Y2Fe10 cuboctahedra, corners with three equivalent Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra, edges with two equivalent Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with three equivalent Fe(4)Y2Fe10 cuboctahedra, faces with three equivalent Fe(6)Y2Fe10 cuboctahedra, faces with three equivalent Fe(14)Y3Fe9 cuboctahedra, and  a faceface with one C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Y(1), one Y(2), one Fe(1), one Fe(15), one Fe(16), and one Fe(2) atom to form CY2Fe4 octahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra,  a cornercorner with one C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(4)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(12)Y2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. In the second C site, C(2) is bonded to two equivalent Y(1), two equivalent Fe(17), and two equivalent Fe(3) atoms to form CY2Fe4 octahedra that share corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with four equivalent Fe(5)Y2Fe10 cuboctahedra, corners with four equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(9)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(13)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the CIF card [CIF]
data_Y4Fe34C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   6.446
_cell_length_c   12.914
_cell_angle_alpha   83.268
_cell_angle_beta   83.673
_cell_angle_gamma   83.775
_symmetry_Int_Tables_number   1
_cell_volume   529.794
_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
  Y  Y0  1  0.663  0.653  0.327  1.0
  Y  Y1  1  0.661  0.660  0.825  1.0
  Y  Y2  1  0.337  0.347  0.173  1.0
  Y  Y3  1  0.339  0.340  0.675  1.0
  Fe  Fe4  1  0.285  0.715  1.000  1.0
  Fe  Fe5  1  0.285  0.716  0.500  1.0
  Fe  Fe6  1  0.715  0.001  0.142  1.0
  Fe  Fe7  1  0.713  0.001  0.644  1.0
  Fe  Fe8  1  0.001  0.286  0.357  1.0
  Fe  Fe9  1  0.998  0.288  0.856  1.0
  Fe  Fe10  1  0.285  0.999  0.358  1.0
  Fe  Fe11  1  0.287  0.999  0.856  1.0
  Fe  Fe12  1  0.999  0.714  0.143  1.0
  Fe  Fe13  1  0.002  0.712  0.644  1.0
  Fe  Fe14  1  0.715  0.284  0.000  1.0
  Fe  Fe15  1  0.715  0.285  0.500  1.0
  Fe  Fe16  1  0.903  0.904  0.452  1.0
  Fe  Fe17  1  0.904  0.904  0.951  1.0
  Fe  Fe18  1  0.097  0.096  0.048  1.0
  Fe  Fe19  1  0.096  0.096  0.549  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  0.500  0.998  0.999  1.0
  Fe  Fe25  1  0.500  0.002  0.501  1.0
  Fe  Fe26  1  0.854  0.345  0.173  1.0
  Fe  Fe27  1  0.851  0.344  0.673  1.0
  Fe  Fe28  1  0.341  0.344  0.427  1.0
  Fe  Fe29  1  0.343  0.342  0.925  1.0
  Fe  Fe30  1  0.342  0.853  0.171  1.0
  Fe  Fe31  1  0.344  0.852  0.673  1.0
  Fe  Fe32  1  0.146  0.655  0.327  1.0
  Fe  Fe33  1  0.149  0.656  0.827  1.0
  Fe  Fe34  1  0.659  0.656  0.073  1.0
  Fe  Fe35  1  0.657  0.658  0.575  1.0
  Fe  Fe36  1  0.658  0.147  0.329  1.0
  Fe  Fe37  1  0.656  0.148  0.827  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 Y4Fe34C3 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(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(5), three equivalent Fe(13), one C(1), and one C(2) atom. In the second Y site, Y(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(4), two equivalent Fe(6), three equivalent Fe(14), three equivalent Fe(18), 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(14), one Fe(4), one Fe(5), one Fe(7), 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(13), one Fe(18), one Fe(6), one Fe(7), one Fe(8), 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(13), one Fe(5), one Fe(7), one Fe(8), one Fe(9), and one C(2) atom. In the fourth Fe site, Fe(4) is bonded to two equivalent Y(2), one Fe(1), one Fe(10), one Fe(12), one Fe(14), one Fe(16), one Fe(6), one Fe(7), one Fe(8), and two equivalent Fe(18) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(12)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with five equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(4)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with three equivalent Fe(14)Y3Fe9 cuboctahedra, and faces with three equivalent Fe(18)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-30°. In the fifth Fe site, Fe(5) is bonded to two equivalent Y(1), one Fe(1), one Fe(11), one Fe(15), one Fe(17), one Fe(3), one Fe(7), one Fe(8), one Fe(9), and two equivalent Fe(13) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Y2Fe10 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  an edgeedge with one C(2)Y2Fe4 octahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(4)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, and faces with three equivalent Fe(13)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the sixth Fe site, Fe(6) is bonded to two equivalent Y(2), one Fe(10), one Fe(11), one Fe(16), one Fe(18), one Fe(2), one Fe(4), one Fe(7), one Fe(8), and two equivalent Fe(14) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with five equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(4)Y2Fe10 cuboctahedra, faces with three equivalent Fe(14)Y3Fe9 cuboctahedra, and faces with three equivalent Fe(18)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-30°. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Y(1), one Fe(1), one Fe(11), one Fe(12), one Fe(13), one Fe(16), one Fe(17), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(8), and one Fe(9) atom. In the eighth Fe site, Fe(8) is bonded in a 14-coordinate geometry to one Y(2), one Fe(1), one Fe(10), one Fe(11), one Fe(12), one Fe(14), one Fe(15), one Fe(18), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and one Fe(7) atom. In the ninth Fe site, Fe(9) is bonded to two equivalent Y(1), two equivalent Fe(13), two equivalent Fe(17), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(7) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(5)Y2Fe10 cuboctahedra, edges with two equivalent Fe(13)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(13)Y3Fe9 cuboctahedra, and faces with two equivalent C(2)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(2), two equivalent Fe(14), two equivalent Fe(18), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(8) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(4)Y2Fe10 cuboctahedra, edges with two equivalent Fe(6)Y2Fe10 cuboctahedra, edges with two equivalent Fe(14)Y3Fe9 cuboctahedra, edges with two equivalent Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(4)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(14)Y3Fe9 cuboctahedra, and faces with two equivalent Fe(18)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the eleventh Fe site, Fe(11) is bonded to one Y(1), one Y(2), one Fe(1), one Fe(13), one Fe(14), one Fe(15), one Fe(16), one Fe(2), one Fe(5), one Fe(6), one Fe(7), and one Fe(8) atom to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra,  a cornercorner with one Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(12)Y2Fe10 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with three equivalent Fe(18)Y3Fe9 cuboctahedra,  a cornercorner with one C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(13)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(4)Y2Fe10 cuboctahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the twelfth Fe site, Fe(12) is bonded to one Y(1), one Y(2), one Fe(1), one Fe(15), one Fe(16), one Fe(17), one Fe(18), one Fe(2), one Fe(3), one Fe(4), one Fe(7), and one Fe(8) atom to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with three equivalent Fe(13)Y3Fe9 cuboctahedra, corners with three equivalent Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(13)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(4)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra,  a faceface with one C(2)Y2Fe4 octahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. In the thirteenth Fe site, Fe(13) is bonded to three equivalent Y(1), one Fe(11), one Fe(15), one Fe(17), one Fe(2), one Fe(3), one Fe(7), one Fe(9), and two equivalent Fe(5) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(4)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(14)Y3Fe9 cuboctahedra,  a cornercorner with one Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with three equivalent Fe(12)Y2Fe10 cuboctahedra, corners with three equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(9)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra, faces with three equivalent Fe(5)Y2Fe10 cuboctahedra,  a faceface with one C(1)Y2Fe4 octahedra, and  a faceface with one C(2)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the fourteenth Fe site, Fe(14) is bonded to three equivalent Y(2), one Fe(1), one Fe(10), one Fe(11), one Fe(16), one Fe(18), one Fe(4), one Fe(8), and two equivalent Fe(6) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(11)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra, corners with three equivalent Fe(12)Y2Fe10 cuboctahedra, corners with three equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(14)Y3Fe9 cuboctahedra, edges with two equivalent Fe(18)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra, faces with three equivalent Fe(4)Y2Fe10 cuboctahedra, faces with three equivalent Fe(6)Y2Fe10 cuboctahedra, faces with three equivalent Fe(18)Y3Fe9 cuboctahedra, and  a faceface with one C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 65-69°. In the fifteenth Fe site, Fe(15) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(13), one Fe(5), one Fe(8), and one C(1) atom. In the sixteenth Fe site, Fe(16) is bonded in a single-bond geometry to one Fe(11), one Fe(12), one Fe(14), one Fe(18), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the seventeenth Fe site, Fe(17) is bonded in a single-bond geometry to one Fe(12), one Fe(13), one Fe(5), one Fe(7), one Fe(9), and one C(2) atom. In the eighteenth Fe site, Fe(18) is bonded to three equivalent Y(2), one Fe(10), one Fe(12), one Fe(14), one Fe(16), one Fe(2), one Fe(6), one Fe(8), and two equivalent Fe(4) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(12)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with three equivalent Fe(11)Y2Fe10 cuboctahedra, corners with three equivalent Fe(18)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(11)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(18)Y3Fe9 cuboctahedra, edges with two equivalent Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(11)Y2Fe10 cuboctahedra,  a faceface with one Fe(12)Y2Fe10 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with three equivalent Fe(4)Y2Fe10 cuboctahedra, faces with three equivalent Fe(6)Y2Fe10 cuboctahedra, faces with three equivalent Fe(14)Y3Fe9 cuboctahedra, and  a faceface with one C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 66-70°. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Y(1), one Y(2), one Fe(1), one Fe(15), one Fe(16), and one Fe(2) atom to form CY2Fe4 octahedra that share  a cornercorner with one Fe(10)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Y2Fe10 cuboctahedra, corners with two equivalent Fe(4)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent Fe(14)Y3Fe9 cuboctahedra, corners with two equivalent Fe(18)Y3Fe9 cuboctahedra,  a cornercorner with one C(2)Y2Fe4 octahedra,  an edgeedge with one Fe(4)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(13)Y3Fe9 cuboctahedra,  a faceface with one Fe(14)Y3Fe9 cuboctahedra,  a faceface with one Fe(18)Y3Fe9 cuboctahedra, faces with two equivalent Fe(11)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(12)Y2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. In the second C site, C(2) is bonded to two equivalent Y(1), two equivalent Fe(17), and two equivalent Fe(3) atoms to form CY2Fe4 octahedra that share corners with two equivalent Fe(11)Y2Fe10 cuboctahedra, corners with four equivalent Fe(5)Y2Fe10 cuboctahedra, corners with four equivalent Fe(13)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(12)Y2Fe10 cuboctahedra, faces with two equivalent Fe(9)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(13)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. is represented by the CIF card [CIF]
data_Y4Fe34C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.478
_cell_length_b   6.446
_cell_length_c   12.914
_cell_angle_alpha   83.268
_cell_angle_beta   83.673
_cell_angle_gamma   83.775
_symmetry_Int_Tables_number   1
_cell_volume   529.794
_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
  Y  Y0  1  0.663  0.653  0.327  1.0
  Y  Y1  1  0.661  0.660  0.825  1.0
  Y  Y2  1  0.337  0.347  0.173  1.0
  Y  Y3  1  0.339  0.340  0.675  1.0
  Fe  Fe4  1  0.285  0.715  1.000  1.0
  Fe  Fe5  1  0.285  0.716  0.500  1.0
  Fe  Fe6  1  0.715  0.001  0.142  1.0
  Fe  Fe7  1  0.713  0.001  0.644  1.0
  Fe  Fe8  1  0.001  0.286  0.357  1.0
  Fe  Fe9  1  0.998  0.288  0.856  1.0
  Fe  Fe10  1  0.285  0.999  0.358  1.0
  Fe  Fe11  1  0.287  0.999  0.856  1.0
  Fe  Fe12  1  0.999  0.714  0.143  1.0
  Fe  Fe13  1  0.002  0.712  0.644  1.0
  Fe  Fe14  1  0.715  0.284  0.000  1.0
  Fe  Fe15  1  0.715  0.285  0.500  1.0
  Fe  Fe16  1  0.903  0.904  0.452  1.0
  Fe  Fe17  1  0.904  0.904  0.951  1.0
  Fe  Fe18  1  0.097  0.096  0.048  1.0
  Fe  Fe19  1  0.096  0.096  0.549  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  0.500  0.998  0.999  1.0
  Fe  Fe25  1  0.500  0.002  0.501  1.0
  Fe  Fe26  1  0.854  0.345  0.173  1.0
  Fe  Fe27  1  0.851  0.344  0.673  1.0
  Fe  Fe28  1  0.341  0.344  0.427  1.0
  Fe  Fe29  1  0.343  0.342  0.925  1.0
  Fe  Fe30  1  0.342  0.853  0.171  1.0
  Fe  Fe31  1  0.344  0.852  0.673  1.0
  Fe  Fe32  1  0.146  0.655  0.327  1.0
  Fe  Fe33  1  0.149  0.656  0.827  1.0
  Fe  Fe34  1  0.659  0.656  0.073  1.0
  Fe  Fe35  1  0.657  0.658  0.575  1.0
  Fe  Fe36  1  0.658  0.147  0.329  1.0
  Fe  Fe37  1  0.656  0.148  0.827  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]
.