The material structure described by Y2Fe17CN crystallizes in the triclinic P-1 space group. Y(1) is bonded in a distorted bent 120 degrees geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), three equivalent Fe(3), one C(1), and one N(1) atom. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(5), one Fe(7), and one N(1) atom. In the third Fe site, Fe(3) is bonded to three equivalent Y(1), one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(10) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with three equivalent Fe(7)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Y3Fe9 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(7)Y2Fe10 cuboctahedra,  a faceface with one Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra,  a faceface with one C(1)Y2Fe4 octahedra, and  a faceface with one N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-70°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(8), and two equivalent Fe(9) atoms. In the fifth Fe site, Fe(5) is bonded to two equivalent Y(1), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(9) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the sixth Fe site, Fe(6) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(8) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the seventh Fe site, Fe(7) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(8), and two equivalent Fe(9) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with six equivalent Fe(3)Y3Fe9 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent C(1)Y2Fe4 octahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. In the eighth Fe site, Fe(8) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), and one C(1) atom. In the ninth Fe site, Fe(9) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(5), one Fe(7), two equivalent Fe(4), and one N(1) atom. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(1), one Fe(1), one Fe(2), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  an edgeedge with one N(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with four equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-29°. C(1) is bonded to two equivalent Y(1), two equivalent Fe(1), and two equivalent Fe(8) atoms to form CY2Fe4 octahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. N(1) is bonded to two equivalent Y(1), two equivalent Fe(2), and two equivalent Fe(9) atoms to form NY2Fe4 octahedra that share corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Fe17CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.438
_cell_length_c   6.467
_cell_angle_alpha   82.848
_cell_angle_beta   83.557
_cell_angle_gamma   83.488
_symmetry_Int_Tables_number   1
_cell_volume   265.654
_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  0.660  0.661  0.652  1.0
  Y  Y1  1  0.340  0.339  0.348  1.0
  Fe  Fe2  1  0.341  0.346  0.853  1.0
  Fe  Fe3  1  0.341  0.851  0.344  1.0
  Fe  Fe4  1  0.853  0.345  0.343  1.0
  Fe  Fe5  1  0.659  0.654  0.147  1.0
  Fe  Fe6  1  0.659  0.149  0.656  1.0
  Fe  Fe7  1  0.147  0.655  0.657  1.0
  Fe  Fe8  1  0.904  0.904  0.905  1.0
  Fe  Fe9  1  0.096  0.096  0.095  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.285  0.713  0.002  1.0
  Fe  Fe14  1  0.717  0.001  0.283  1.0
  Fe  Fe15  1  0.998  0.292  0.711  1.0
  Fe  Fe16  1  0.283  0.999  0.717  1.0
  Fe  Fe17  1  0.002  0.708  0.289  1.0
  Fe  Fe18  1  0.715  0.287  0.998  1.0
  C  C19  1  0.500  0.500  0.000  1.0
  N  N20  1  0.500  0.000  0.500  1.0
[/CIF]
.
The material structure described by Y2Fe17CN crystallizes in the triclinic P-1 space group. Y(1) is bonded in a distorted bent 120 degrees geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), three equivalent Fe(3), one C(1), and one N(1) atom. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(5), one Fe(7), and one N(1) atom. In the third Fe site, Fe(3) is bonded to three equivalent Y(1), one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(10) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with three equivalent Fe(7)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Y3Fe9 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(7)Y2Fe10 cuboctahedra,  a faceface with one Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra,  a faceface with one C(1)Y2Fe4 octahedra, and  a faceface with one N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-70°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(8), and two equivalent Fe(9) atoms. In the fifth Fe site, Fe(5) is bonded to two equivalent Y(1), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(9) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the sixth Fe site, Fe(6) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(8) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the seventh Fe site, Fe(7) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(8), and two equivalent Fe(9) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with six equivalent Fe(3)Y3Fe9 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent C(1)Y2Fe4 octahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. In the eighth Fe site, Fe(8) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), and one C(1) atom. In the ninth Fe site, Fe(9) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(5), one Fe(7), two equivalent Fe(4), and one N(1) atom. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(1), one Fe(1), one Fe(2), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  an edgeedge with one N(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with four equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-29°. C(1) is bonded to two equivalent Y(1), two equivalent Fe(1), and two equivalent Fe(8) atoms to form CY2Fe4 octahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. N(1) is bonded to two equivalent Y(1), two equivalent Fe(2), and two equivalent Fe(9) atoms to form NY2Fe4 octahedra that share corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Fe17CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.438
_cell_length_c   6.467
_cell_angle_alpha   82.848
_cell_angle_beta   83.557
_cell_angle_gamma   83.488
_symmetry_Int_Tables_number   1
_cell_volume   265.654
_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  0.660  0.661  0.652  1.0
  Y  Y1  1  0.340  0.339  0.348  1.0
  Fe  Fe2  1  0.341  0.346  0.853  1.0
  Fe  Fe3  1  0.341  0.851  0.344  1.0
  Fe  Fe4  1  0.853  0.345  0.343  1.0
  Fe  Fe5  1  0.659  0.654  0.147  1.0
  Fe  Fe6  1  0.659  0.149  0.656  1.0
  Fe  Fe7  1  0.147  0.655  0.657  1.0
  Fe  Fe8  1  0.904  0.904  0.905  1.0
  Fe  Fe9  1  0.096  0.096  0.095  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.500  0.000  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.285  0.713  0.002  1.0
  Fe  Fe14  1  0.717  0.001  0.283  1.0
  Fe  Fe15  1  0.998  0.292  0.711  1.0
  Fe  Fe16  1  0.283  0.999  0.717  1.0
  Fe  Fe17  1  0.002  0.708  0.289  1.0
  Fe  Fe18  1  0.715  0.287  0.998  1.0
  C  C19  1  0.500  0.500  0.000  1.0
  N  N20  1  0.500  0.000  0.500  1.0
[/CIF]
.