The material described by Sm2Fe17 crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a 19-coordinate geometry to one Fe(4), three equivalent Fe(1), six equivalent Fe(2), and nine equivalent Fe(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), two equivalent Fe(4), four equivalent Fe(2), and four equivalent Fe(3) atoms to form FeSm2Fe10 cuboctahedra that share corners with four equivalent Fe(1)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Sm3Fe9 cuboctahedra, edges with six equivalent Fe(3)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(1)Sm2Fe10 cuboctahedra, and faces with six equivalent Fe(3)Sm3Fe9 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to three equivalent Sm(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(3), and four equivalent Fe(2) atoms to form FeSm3Fe9 cuboctahedra that share corners with five equivalent Fe(1)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Sm3Fe9 cuboctahedra, edges with three equivalent Fe(1)Sm2Fe10 cuboctahedra, edges with five equivalent Fe(3)Sm3Fe9 cuboctahedra, faces with three equivalent Fe(1)Sm2Fe10 cuboctahedra, and faces with seven equivalent Fe(3)Sm3Fe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(4), three equivalent Fe(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Fe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.438
_cell_length_b   6.438
_cell_length_c   6.438
_cell_angle_alpha   82.951
_cell_angle_beta   82.951
_cell_angle_gamma   82.951
_symmetry_Int_Tables_number   1
_cell_volume   261.282
_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  0.659  0.659  0.659  1.0
  Sm  Sm1  1  0.341  0.341  0.341  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.709  0.291  0.000  1.0
  Fe  Fe6  1  0.000  0.709  0.291  1.0
  Fe  Fe7  1  0.291  0.000  0.709  1.0
  Fe  Fe8  1  0.000  0.291  0.709  1.0
  Fe  Fe9  1  0.709  0.000  0.291  1.0
  Fe  Fe10  1  0.291  0.709  0.000  1.0
  Fe  Fe11  1  0.343  0.343  0.845  1.0
  Fe  Fe12  1  0.845  0.343  0.343  1.0
  Fe  Fe13  1  0.343  0.845  0.343  1.0
  Fe  Fe14  1  0.657  0.657  0.155  1.0
  Fe  Fe15  1  0.155  0.657  0.657  1.0
  Fe  Fe16  1  0.657  0.155  0.657  1.0
  Fe  Fe17  1  0.903  0.903  0.903  1.0
  Fe  Fe18  1  0.097  0.097  0.097  1.0
[/CIF]
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The material described by Sm2Fe17 crystallizes in the trigonal R-3m space group. Sm(1) is bonded in a 19-coordinate geometry to one Fe(4), three equivalent Fe(1), six equivalent Fe(2), and nine equivalent Fe(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), two equivalent Fe(4), four equivalent Fe(2), and four equivalent Fe(3) atoms to form FeSm2Fe10 cuboctahedra that share corners with four equivalent Fe(1)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Sm3Fe9 cuboctahedra, edges with six equivalent Fe(3)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(1)Sm2Fe10 cuboctahedra, and faces with six equivalent Fe(3)Sm3Fe9 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the third Fe site, Fe(3) is bonded to three equivalent Sm(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(3), and four equivalent Fe(2) atoms to form FeSm3Fe9 cuboctahedra that share corners with five equivalent Fe(1)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(3)Sm3Fe9 cuboctahedra, edges with three equivalent Fe(1)Sm2Fe10 cuboctahedra, edges with five equivalent Fe(3)Sm3Fe9 cuboctahedra, faces with three equivalent Fe(1)Sm2Fe10 cuboctahedra, and faces with seven equivalent Fe(3)Sm3Fe9 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(4), three equivalent Fe(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Fe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.438
_cell_length_b   6.438
_cell_length_c   6.438
_cell_angle_alpha   82.951
_cell_angle_beta   82.951
_cell_angle_gamma   82.951
_symmetry_Int_Tables_number   1
_cell_volume   261.282
_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  0.659  0.659  0.659  1.0
  Sm  Sm1  1  0.341  0.341  0.341  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.709  0.291  0.000  1.0
  Fe  Fe6  1  0.000  0.709  0.291  1.0
  Fe  Fe7  1  0.291  0.000  0.709  1.0
  Fe  Fe8  1  0.000  0.291  0.709  1.0
  Fe  Fe9  1  0.709  0.000  0.291  1.0
  Fe  Fe10  1  0.291  0.709  0.000  1.0
  Fe  Fe11  1  0.343  0.343  0.845  1.0
  Fe  Fe12  1  0.845  0.343  0.343  1.0
  Fe  Fe13  1  0.343  0.845  0.343  1.0
  Fe  Fe14  1  0.657  0.657  0.155  1.0
  Fe  Fe15  1  0.155  0.657  0.657  1.0
  Fe  Fe16  1  0.657  0.155  0.657  1.0
  Fe  Fe17  1  0.903  0.903  0.903  1.0
  Fe  Fe18  1  0.097  0.097  0.097  1.0
[/CIF]
.