The material structure described by Sm2Fe17N crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(7), two equivalent Fe(4), four equivalent Fe(2), six equivalent Fe(6), and one N(1) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), two equivalent Fe(7), and one N(1) atom. In the second Fe site, Fe(2) is bonded to two equivalent Sm(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(7), and three equivalent Fe(6) atoms to form distorted FeSm2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Sm2Fe10 cuboctahedra, corners with three equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with five equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with seven equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(2)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Sm3Fe9 cuboctahedra,  an edgeedge with one N(1)Sm2Fe4 octahedra,  a faceface with one Fe(3)Sm2Fe10 cuboctahedra, faces with three equivalent Fe(4)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(2)Sm2Fe10 cuboctahedra, and faces with seven equivalent Fe(6)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the third Fe site, Fe(3) is bonded to two equivalent Sm(1), two equivalent Fe(7), four equivalent Fe(2), and four equivalent Fe(6) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with four equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with four equivalent Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(2)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(4)Sm2Fe10 cuboctahedra, and faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the fourth Fe site, Fe(4) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with six equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with eight equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(3)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with six equivalent Fe(2)Sm2Fe10 cuboctahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(7), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), and one N(1) atom. In the sixth Fe site, Fe(6) is bonded to three equivalent Sm(1), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), and three equivalent Fe(2) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(3)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with five equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with seven equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(2)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Sm2Fe10 cuboctahedra, edges with three equivalent Fe(6)Sm3Fe9 cuboctahedra,  a faceface with one Fe(3)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with seven equivalent Fe(2)Sm2Fe10 cuboctahedra, and  a faceface with one N(1)Sm2Fe4 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 Sm(1), one Fe(3), one Fe(5), one Fe(7), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(2) atoms. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(5) atoms to form NSm2Fe4 octahedra that share corners with two equivalent Fe(3)Sm2Fe10 cuboctahedra, corners with eight equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with eight equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with four equivalent Fe(2)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(4)Sm2Fe10 cuboctahedra, and faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Fe17N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   6.431
_cell_angle_alpha   83.567
_cell_angle_beta   83.567
_cell_angle_gamma   83.767
_symmetry_Int_Tables_number   1
_cell_volume   264.855
_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
  Sm  Sm0  1  0.657  0.657  0.656  1.0
  Sm  Sm1  1  0.343  0.343  0.344  1.0
  Fe  Fe2  1  0.717  0.283  0.000  1.0
  Fe  Fe3  1  1.000  0.714  0.287  1.0
  Fe  Fe4  1  0.286  0.000  0.713  1.0
  Fe  Fe5  1  0.000  0.286  0.713  1.0
  Fe  Fe6  1  0.714  1.000  0.287  1.0
  Fe  Fe7  1  0.283  0.717  0.000  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.000  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.342  0.342  0.850  1.0
  Fe  Fe12  1  0.853  0.343  0.346  1.0
  Fe  Fe13  1  0.343  0.853  0.346  1.0
  Fe  Fe14  1  0.658  0.658  0.150  1.0
  Fe  Fe15  1  0.147  0.657  0.654  1.0
  Fe  Fe16  1  0.657  0.147  0.654  1.0
  Fe  Fe17  1  0.904  0.904  0.902  1.0
  Fe  Fe18  1  0.096  0.096  0.098  1.0
  N  N19  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Sm2Fe17N crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a distorted single-bond geometry to one Fe(3), one Fe(7), two equivalent Fe(4), four equivalent Fe(2), six equivalent Fe(6), and one N(1) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), two equivalent Fe(7), and one N(1) atom. In the second Fe site, Fe(2) is bonded to two equivalent Sm(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), two equivalent Fe(7), and three equivalent Fe(6) atoms to form distorted FeSm2Fe10 cuboctahedra that share  a cornercorner with one Fe(3)Sm2Fe10 cuboctahedra, corners with three equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with five equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with seven equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(2)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Sm3Fe9 cuboctahedra,  an edgeedge with one N(1)Sm2Fe4 octahedra,  a faceface with one Fe(3)Sm2Fe10 cuboctahedra, faces with three equivalent Fe(4)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(2)Sm2Fe10 cuboctahedra, and faces with seven equivalent Fe(6)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the third Fe site, Fe(3) is bonded to two equivalent Sm(1), two equivalent Fe(7), four equivalent Fe(2), and four equivalent Fe(6) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with four equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with four equivalent Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(2)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(4)Sm2Fe10 cuboctahedra, and faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the fourth Fe site, Fe(4) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(3)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with six equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with eight equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(3)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with six equivalent Fe(2)Sm2Fe10 cuboctahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(7), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), and one N(1) atom. In the sixth Fe site, Fe(6) is bonded to three equivalent Sm(1), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), and three equivalent Fe(2) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(3)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm2Fe10 cuboctahedra, corners with five equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with seven equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(2)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Sm2Fe10 cuboctahedra, edges with three equivalent Fe(6)Sm3Fe9 cuboctahedra,  a faceface with one Fe(3)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra, faces with seven equivalent Fe(2)Sm2Fe10 cuboctahedra, and  a faceface with one N(1)Sm2Fe4 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 Sm(1), one Fe(3), one Fe(5), one Fe(7), two equivalent Fe(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(2) atoms. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(5) atoms to form NSm2Fe4 octahedra that share corners with two equivalent Fe(3)Sm2Fe10 cuboctahedra, corners with eight equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with eight equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with four equivalent Fe(2)Sm2Fe10 cuboctahedra, faces with four equivalent Fe(4)Sm2Fe10 cuboctahedra, and faces with four equivalent Fe(6)Sm3Fe9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Fe17N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.474
_cell_length_b   6.474
_cell_length_c   6.431
_cell_angle_alpha   83.567
_cell_angle_beta   83.567
_cell_angle_gamma   83.767
_symmetry_Int_Tables_number   1
_cell_volume   264.855
_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
  Sm  Sm0  1  0.657  0.657  0.656  1.0
  Sm  Sm1  1  0.343  0.343  0.344  1.0
  Fe  Fe2  1  0.717  0.283  0.000  1.0
  Fe  Fe3  1  1.000  0.714  0.287  1.0
  Fe  Fe4  1  0.286  0.000  0.713  1.0
  Fe  Fe5  1  0.000  0.286  0.713  1.0
  Fe  Fe6  1  0.714  1.000  0.287  1.0
  Fe  Fe7  1  0.283  0.717  0.000  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.500  0.000  0.000  1.0
  Fe  Fe10  1  0.000  0.500  0.000  1.0
  Fe  Fe11  1  0.342  0.342  0.850  1.0
  Fe  Fe12  1  0.853  0.343  0.346  1.0
  Fe  Fe13  1  0.343  0.853  0.346  1.0
  Fe  Fe14  1  0.658  0.658  0.150  1.0
  Fe  Fe15  1  0.147  0.657  0.654  1.0
  Fe  Fe16  1  0.657  0.147  0.654  1.0
  Fe  Fe17  1  0.904  0.904  0.902  1.0
  Fe  Fe18  1  0.096  0.096  0.098  1.0
  N  N19  1  0.500  0.500  0.000  1.0
[/CIF]
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