The material described by SmYFe17 crystallizes in the trigonal R3m space group. Sm(1) is bonded in a 19-coordinate geometry to one Fe(3), three equivalent Fe(1), three equivalent Fe(5), six equivalent Fe(2), and six equivalent Fe(6) atoms. Y(1) is bonded in a 19-coordinate geometry to one Fe(4), three equivalent Fe(1), three equivalent Fe(6), six equivalent Fe(2), and six equivalent Fe(5) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sm(1), one Y(1), one Fe(3), one Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(2) atoms to form FeSmYFe10 cuboctahedra that share corners with four equivalent Fe(1)SmYFe10 cuboctahedra, corners with five equivalent Fe(6)Sm2YFe9 cuboctahedra, corners with five equivalent Fe(5)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(6)Sm2YFe9 cuboctahedra, edges with three equivalent Fe(5)SmY2Fe9 cuboctahedra, faces with three equivalent Fe(6)Sm2YFe9 cuboctahedra, faces with three equivalent Fe(5)SmY2Fe9 cuboctahedra, and faces with four equivalent Fe(1)SmYFe10 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Sm(1), one Y(1), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), and two equivalent Fe(6) atoms. In the third Fe site, Fe(3) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(4), three equivalent Fe(1), three equivalent Fe(6), and six equivalent Fe(2) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), one Fe(3), three equivalent Fe(1), three equivalent Fe(5), and six equivalent Fe(2) atoms. In the fifth Fe site, Fe(5) is bonded to one Sm(1), two equivalent Y(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(6), and four equivalent Fe(2) atoms to form FeSmY2Fe9 cuboctahedra that share corners with two equivalent Fe(5)SmY2Fe9 cuboctahedra, corners with five equivalent Fe(1)SmYFe10 cuboctahedra, corners with eight equivalent Fe(6)Sm2YFe9 cuboctahedra,  an edgeedge with one Fe(6)Sm2YFe9 cuboctahedra, edges with three equivalent Fe(1)SmYFe10 cuboctahedra, edges with four equivalent Fe(5)SmY2Fe9 cuboctahedra, faces with three equivalent Fe(6)Sm2YFe9 cuboctahedra, faces with three equivalent Fe(1)SmYFe10 cuboctahedra, and faces with four equivalent Fe(5)SmY2Fe9 cuboctahedra. In the sixth Fe site, Fe(6) is bonded to two equivalent Sm(1), one Y(1), one Fe(3), two equivalent Fe(1), two equivalent Fe(5), and four equivalent Fe(2) atoms to form FeSm2YFe9 cuboctahedra that share corners with two equivalent Fe(6)Sm2YFe9 cuboctahedra, corners with five equivalent Fe(1)SmYFe10 cuboctahedra, corners with eight equivalent Fe(5)SmY2Fe9 cuboctahedra,  an edgeedge with one Fe(5)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(1)SmYFe10 cuboctahedra, edges with four equivalent Fe(6)Sm2YFe9 cuboctahedra, faces with three equivalent Fe(5)SmY2Fe9 cuboctahedra, faces with three equivalent Fe(1)SmYFe10 cuboctahedra, and faces with four equivalent Fe(6)Sm2YFe9 cuboctahedra. is represented by the CIF card [CIF]
data_SmYFe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   6.426
_cell_length_c   6.426
_cell_angle_alpha   83.032
_cell_angle_beta   83.032
_cell_angle_gamma   83.032
_symmetry_Int_Tables_number   1
_cell_volume   259.901
_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  0.658  0.658  0.658  1.0
  Y  Y1  1  0.341  0.341  0.341  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.709  0.001  0.291  1.0
  Fe  Fe6  1  0.001  0.291  0.709  1.0
  Fe  Fe7  1  0.291  0.709  0.001  1.0
  Fe  Fe8  1  0.001  0.709  0.291  1.0
  Fe  Fe9  1  0.709  0.291  0.001  1.0
  Fe  Fe10  1  0.291  0.001  0.709  1.0
  Fe  Fe11  1  0.903  0.903  0.903  1.0
  Fe  Fe12  1  0.097  0.097  0.097  1.0
  Fe  Fe13  1  0.343  0.846  0.343  1.0
  Fe  Fe14  1  0.846  0.343  0.343  1.0
  Fe  Fe15  1  0.343  0.343  0.846  1.0
  Fe  Fe16  1  0.656  0.155  0.656  1.0
  Fe  Fe17  1  0.155  0.656  0.656  1.0
  Fe  Fe18  1  0.656  0.656  0.155  1.0
[/CIF]
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The material described by SmYFe17 crystallizes in the trigonal R3m space group. Sm(1) is bonded in a 19-coordinate geometry to one Fe(3), three equivalent Fe(1), three equivalent Fe(5), six equivalent Fe(2), and six equivalent Fe(6) atoms. Y(1) is bonded in a 19-coordinate geometry to one Fe(4), three equivalent Fe(1), three equivalent Fe(6), six equivalent Fe(2), and six equivalent Fe(5) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sm(1), one Y(1), one Fe(3), one Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(2) atoms to form FeSmYFe10 cuboctahedra that share corners with four equivalent Fe(1)SmYFe10 cuboctahedra, corners with five equivalent Fe(6)Sm2YFe9 cuboctahedra, corners with five equivalent Fe(5)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(6)Sm2YFe9 cuboctahedra, edges with three equivalent Fe(5)SmY2Fe9 cuboctahedra, faces with three equivalent Fe(6)Sm2YFe9 cuboctahedra, faces with three equivalent Fe(5)SmY2Fe9 cuboctahedra, and faces with four equivalent Fe(1)SmYFe10 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Sm(1), one Y(1), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), and two equivalent Fe(6) atoms. In the third Fe site, Fe(3) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(4), three equivalent Fe(1), three equivalent Fe(6), and six equivalent Fe(2) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), one Fe(3), three equivalent Fe(1), three equivalent Fe(5), and six equivalent Fe(2) atoms. In the fifth Fe site, Fe(5) is bonded to one Sm(1), two equivalent Y(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(6), and four equivalent Fe(2) atoms to form FeSmY2Fe9 cuboctahedra that share corners with two equivalent Fe(5)SmY2Fe9 cuboctahedra, corners with five equivalent Fe(1)SmYFe10 cuboctahedra, corners with eight equivalent Fe(6)Sm2YFe9 cuboctahedra,  an edgeedge with one Fe(6)Sm2YFe9 cuboctahedra, edges with three equivalent Fe(1)SmYFe10 cuboctahedra, edges with four equivalent Fe(5)SmY2Fe9 cuboctahedra, faces with three equivalent Fe(6)Sm2YFe9 cuboctahedra, faces with three equivalent Fe(1)SmYFe10 cuboctahedra, and faces with four equivalent Fe(5)SmY2Fe9 cuboctahedra. In the sixth Fe site, Fe(6) is bonded to two equivalent Sm(1), one Y(1), one Fe(3), two equivalent Fe(1), two equivalent Fe(5), and four equivalent Fe(2) atoms to form FeSm2YFe9 cuboctahedra that share corners with two equivalent Fe(6)Sm2YFe9 cuboctahedra, corners with five equivalent Fe(1)SmYFe10 cuboctahedra, corners with eight equivalent Fe(5)SmY2Fe9 cuboctahedra,  an edgeedge with one Fe(5)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(1)SmYFe10 cuboctahedra, edges with four equivalent Fe(6)Sm2YFe9 cuboctahedra, faces with three equivalent Fe(5)SmY2Fe9 cuboctahedra, faces with three equivalent Fe(1)SmYFe10 cuboctahedra, and faces with four equivalent Fe(6)Sm2YFe9 cuboctahedra. is represented by the CIF card [CIF]
data_SmYFe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   6.426
_cell_length_c   6.426
_cell_angle_alpha   83.032
_cell_angle_beta   83.032
_cell_angle_gamma   83.032
_symmetry_Int_Tables_number   1
_cell_volume   259.901
_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  0.658  0.658  0.658  1.0
  Y  Y1  1  0.341  0.341  0.341  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  Fe  Fe5  1  0.709  0.001  0.291  1.0
  Fe  Fe6  1  0.001  0.291  0.709  1.0
  Fe  Fe7  1  0.291  0.709  0.001  1.0
  Fe  Fe8  1  0.001  0.709  0.291  1.0
  Fe  Fe9  1  0.709  0.291  0.001  1.0
  Fe  Fe10  1  0.291  0.001  0.709  1.0
  Fe  Fe11  1  0.903  0.903  0.903  1.0
  Fe  Fe12  1  0.097  0.097  0.097  1.0
  Fe  Fe13  1  0.343  0.846  0.343  1.0
  Fe  Fe14  1  0.846  0.343  0.343  1.0
  Fe  Fe15  1  0.343  0.343  0.846  1.0
  Fe  Fe16  1  0.656  0.155  0.656  1.0
  Fe  Fe17  1  0.155  0.656  0.656  1.0
  Fe  Fe18  1  0.656  0.656  0.155  1.0
[/CIF]
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