The material described by Tb2Fe17N2 crystallizes in the monoclinic C2/m space group. Tb(1) is bonded in a bent 120 degrees geometry to one Fe(5), one Fe(7), two equivalent Fe(3), two equivalent Fe(6), three equivalent Fe(1), and two equivalent N(1) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Tb(1), one Fe(7), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(6) atoms to form FeTb3Fe9 cuboctahedra that share corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with three equivalent Fe(5)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with four equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(5)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Tb3Fe9 cuboctahedra, edges with two equivalent Fe(6)Tb2Fe10 cuboctahedra,  a faceface with one Fe(5)Tb2Fe10 cuboctahedra,  a faceface with one Fe(1)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1), one Fe(3), one Fe(5), one Fe(6), one Fe(7), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(5)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with four equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(6)Tb2Fe10 cuboctahedra, edges with two equivalent N(1)Tb2Fe4 octahedra,  a faceface with one Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(1)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-29°. In the fourth Fe site, Fe(4) is bonded in a single-bond geometry to one Fe(1), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(7), and one N(1) atom. In the fifth Fe site, Fe(5) is bonded to two equivalent Tb(1), two equivalent Fe(7), four equivalent Fe(2), and four equivalent Fe(4) atoms to form FeTb2Fe10 cuboctahedra that share corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with six equivalent Fe(1)Tb3Fe9 cuboctahedra, edges with two equivalent Fe(1)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(1)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(6)Tb2Fe10 cuboctahedra, and faces with four equivalent N(1)Tb2Fe4 octahedra. In the sixth Fe site, Fe(6) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(7) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(5)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(1)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(1)Tb3Fe9 cuboctahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Tb(1), one Fe(1), one Fe(5), one Fe(7), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), and four equivalent Fe(4) atoms. N(1) is bonded to two equivalent Tb(1), two equivalent Fe(2), and two equivalent Fe(4) atoms to form NTb2Fe4 octahedra that share corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, and faces with two equivalent Fe(1)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF file [CIF]
data_Tb2Fe17N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.455
_cell_length_b   6.455
_cell_length_c   6.518
_cell_angle_alpha   83.569
_cell_angle_beta   83.569
_cell_angle_gamma   82.821
_symmetry_Int_Tables_number   1
_cell_volume   266.423
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.341  0.341  0.344  1.0
  Tb  Tb1  1  0.659  0.659  0.656  1.0
  Fe  Fe2  1  0.655  0.655  0.145  1.0
  Fe  Fe3  1  0.655  0.147  0.660  1.0
  Fe  Fe4  1  0.147  0.655  0.660  1.0
  Fe  Fe5  1  0.345  0.345  0.855  1.0
  Fe  Fe6  1  0.345  0.853  0.340  1.0
  Fe  Fe7  1  0.853  0.345  0.340  1.0
  Fe  Fe8  1  0.709  0.291  0.000  1.0
  Fe  Fe9  1  0.284  0.998  0.718  1.0
  Fe  Fe10  1  0.002  0.716  0.282  1.0
  Fe  Fe11  1  0.716  0.002  0.282  1.0
  Fe  Fe12  1  0.998  0.284  0.718  1.0
  Fe  Fe13  1  0.291  0.709  0.000  1.0
  Fe  Fe14  1  0.000  0.000  0.500  1.0
  Fe  Fe15  1  0.000  0.500  0.000  1.0
  Fe  Fe16  1  0.500  0.000  0.000  1.0
  Fe  Fe17  1  0.096  0.096  0.095  1.0
  Fe  Fe18  1  0.904  0.904  0.905  1.0
  N  N19  1  0.500  0.000  0.500  1.0
  N  N20  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Tb2Fe17N2 crystallizes in the monoclinic C2/m space group. Tb(1) is bonded in a bent 120 degrees geometry to one Fe(5), one Fe(7), two equivalent Fe(3), two equivalent Fe(6), three equivalent Fe(1), and two equivalent N(1) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Tb(1), one Fe(7), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(6) atoms to form FeTb3Fe9 cuboctahedra that share corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with three equivalent Fe(5)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with four equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(5)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Tb3Fe9 cuboctahedra, edges with two equivalent Fe(6)Tb2Fe10 cuboctahedra,  a faceface with one Fe(5)Tb2Fe10 cuboctahedra,  a faceface with one Fe(1)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1), one Fe(3), one Fe(5), one Fe(6), one Fe(7), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(5)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with four equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(6)Tb2Fe10 cuboctahedra, edges with two equivalent N(1)Tb2Fe4 octahedra,  a faceface with one Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(1)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 25-29°. In the fourth Fe site, Fe(4) is bonded in a single-bond geometry to one Fe(1), one Fe(3), one Fe(5), one Fe(6), two equivalent Fe(7), and one N(1) atom. In the fifth Fe site, Fe(5) is bonded to two equivalent Tb(1), two equivalent Fe(7), four equivalent Fe(2), and four equivalent Fe(4) atoms to form FeTb2Fe10 cuboctahedra that share corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with six equivalent Fe(1)Tb3Fe9 cuboctahedra, edges with two equivalent Fe(1)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(1)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with four equivalent Fe(6)Tb2Fe10 cuboctahedra, and faces with four equivalent N(1)Tb2Fe4 octahedra. In the sixth Fe site, Fe(6) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(7) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(5)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(1)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(1)Tb3Fe9 cuboctahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the seventh Fe site, Fe(7) is bonded in a 14-coordinate geometry to one Tb(1), one Fe(1), one Fe(5), one Fe(7), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), and four equivalent Fe(4) atoms. N(1) is bonded to two equivalent Tb(1), two equivalent Fe(2), and two equivalent Fe(4) atoms to form NTb2Fe4 octahedra that share corners with two equivalent Fe(6)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(1)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(5)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(6)Tb2Fe10 cuboctahedra, and faces with two equivalent Fe(1)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. is represented by the CIF file [CIF]
data_Tb2Fe17N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.455
_cell_length_b   6.455
_cell_length_c   6.518
_cell_angle_alpha   83.569
_cell_angle_beta   83.569
_cell_angle_gamma   82.821
_symmetry_Int_Tables_number   1
_cell_volume   266.423
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.341  0.341  0.344  1.0
  Tb  Tb1  1  0.659  0.659  0.656  1.0
  Fe  Fe2  1  0.655  0.655  0.145  1.0
  Fe  Fe3  1  0.655  0.147  0.660  1.0
  Fe  Fe4  1  0.147  0.655  0.660  1.0
  Fe  Fe5  1  0.345  0.345  0.855  1.0
  Fe  Fe6  1  0.345  0.853  0.340  1.0
  Fe  Fe7  1  0.853  0.345  0.340  1.0
  Fe  Fe8  1  0.709  0.291  0.000  1.0
  Fe  Fe9  1  0.284  0.998  0.718  1.0
  Fe  Fe10  1  0.002  0.716  0.282  1.0
  Fe  Fe11  1  0.716  0.002  0.282  1.0
  Fe  Fe12  1  0.998  0.284  0.718  1.0
  Fe  Fe13  1  0.291  0.709  0.000  1.0
  Fe  Fe14  1  0.000  0.000  0.500  1.0
  Fe  Fe15  1  0.000  0.500  0.000  1.0
  Fe  Fe16  1  0.500  0.000  0.000  1.0
  Fe  Fe17  1  0.096  0.096  0.095  1.0
  Fe  Fe18  1  0.904  0.904  0.905  1.0
  N  N19  1  0.500  0.000  0.500  1.0
  N  N20  1  0.000  0.500  0.500  1.0
[/CIF]
.