The structure described by Sm2CrFe16 crystallizes in the trigonal R3m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 19-coordinate geometry to one Fe(5), three equivalent Fe(2), three equivalent Fe(3), six equivalent Fe(1), and six equivalent Fe(4) atoms. In the second Sm site, Sm(2) is bonded in a 19-coordinate geometry to one Cr(1), three equivalent Fe(2), three equivalent Fe(4), six equivalent Fe(1), and six equivalent Fe(3) atoms. Cr(1) is bonded in a 14-coordinate geometry to one Sm(2), one Fe(5), three equivalent Fe(2), three equivalent Fe(3), and six equivalent Fe(1) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(2), one Cr(1), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second Fe site, Fe(2) is bonded to one Sm(1), one Sm(2), one Cr(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms to form distorted FeSm2CrFe9 cuboctahedra that share corners with four equivalent Fe(2)Sm2CrFe9 cuboctahedra, corners with five equivalent Fe(3)Sm3CrFe8 cuboctahedra, corners with five equivalent Fe(4)Sm3Fe9 cuboctahedra, edges with three equivalent Fe(3)Sm3CrFe8 cuboctahedra, edges with three equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with three equivalent Fe(3)Sm3CrFe8 cuboctahedra, faces with three equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with four equivalent Fe(2)Sm2CrFe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to one Sm(1), two equivalent Sm(2), one Cr(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(1) atoms to form FeSm3CrFe8 cuboctahedra that share corners with two equivalent Fe(3)Sm3CrFe8 cuboctahedra, corners with five equivalent Fe(2)Sm2CrFe9 cuboctahedra, corners with eight equivalent Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra, edges with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, edges with four equivalent Fe(3)Sm3CrFe8 cuboctahedra, faces with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, faces with three equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with four equivalent Fe(3)Sm3CrFe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to one Sm(2), two equivalent Sm(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(1) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with five equivalent Fe(2)Sm2CrFe9 cuboctahedra, corners with eight equivalent Fe(3)Sm3CrFe8 cuboctahedra,  an edgeedge with one Fe(3)Sm3CrFe8 cuboctahedra, edges with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, edges with four equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, faces with three equivalent Fe(3)Sm3CrFe8 cuboctahedra, and faces with four equivalent Fe(4)Sm3Fe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Sm(1), one Cr(1), three equivalent Fe(2), three equivalent Fe(4), and six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2CrFe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.439
_cell_length_b   6.439
_cell_length_c   6.439
_cell_angle_alpha   82.602
_cell_angle_beta   82.602
_cell_angle_gamma   82.602
_symmetry_Int_Tables_number   1
_cell_volume   260.866
_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
  Sm  Sm1  1  0.346  0.346  0.346  1.0
  Cr  Cr2  1  0.092  0.092  0.092  1.0
  Fe  Fe3  1  0.294  0.704  1.000  1.0
  Fe  Fe4  1  0.704  1.000  0.294  1.0
  Fe  Fe5  1  1.000  0.294  0.704  1.0
  Fe  Fe6  1  0.294  1.000  0.704  1.0
  Fe  Fe7  1  1.000  0.704  0.294  1.0
  Fe  Fe8  1  0.704  0.294  1.000  1.0
  Fe  Fe9  1  0.001  0.001  0.498  1.0
  Fe  Fe10  1  0.001  0.498  0.001  1.0
  Fe  Fe11  1  0.498  0.001  0.001  1.0
  Fe  Fe12  1  0.844  0.341  0.341  1.0
  Fe  Fe13  1  0.341  0.341  0.844  1.0
  Fe  Fe14  1  0.341  0.844  0.341  1.0
  Fe  Fe15  1  0.156  0.659  0.659  1.0
  Fe  Fe16  1  0.659  0.659  0.156  1.0
  Fe  Fe17  1  0.659  0.156  0.659  1.0
  Fe  Fe18  1  0.907  0.907  0.907  1.0
[/CIF]
.
The structure described by Sm2CrFe16 crystallizes in the trigonal R3m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 19-coordinate geometry to one Fe(5), three equivalent Fe(2), three equivalent Fe(3), six equivalent Fe(1), and six equivalent Fe(4) atoms. In the second Sm site, Sm(2) is bonded in a 19-coordinate geometry to one Cr(1), three equivalent Fe(2), three equivalent Fe(4), six equivalent Fe(1), and six equivalent Fe(3) atoms. Cr(1) is bonded in a 14-coordinate geometry to one Sm(2), one Fe(5), three equivalent Fe(2), three equivalent Fe(3), and six equivalent Fe(1) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(2), one Cr(1), one Fe(5), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the second Fe site, Fe(2) is bonded to one Sm(1), one Sm(2), one Cr(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), and four equivalent Fe(1) atoms to form distorted FeSm2CrFe9 cuboctahedra that share corners with four equivalent Fe(2)Sm2CrFe9 cuboctahedra, corners with five equivalent Fe(3)Sm3CrFe8 cuboctahedra, corners with five equivalent Fe(4)Sm3Fe9 cuboctahedra, edges with three equivalent Fe(3)Sm3CrFe8 cuboctahedra, edges with three equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with three equivalent Fe(3)Sm3CrFe8 cuboctahedra, faces with three equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with four equivalent Fe(2)Sm2CrFe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to one Sm(1), two equivalent Sm(2), one Cr(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(1) atoms to form FeSm3CrFe8 cuboctahedra that share corners with two equivalent Fe(3)Sm3CrFe8 cuboctahedra, corners with five equivalent Fe(2)Sm2CrFe9 cuboctahedra, corners with eight equivalent Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra, edges with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, edges with four equivalent Fe(3)Sm3CrFe8 cuboctahedra, faces with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, faces with three equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with four equivalent Fe(3)Sm3CrFe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to one Sm(2), two equivalent Sm(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(1) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with five equivalent Fe(2)Sm2CrFe9 cuboctahedra, corners with eight equivalent Fe(3)Sm3CrFe8 cuboctahedra,  an edgeedge with one Fe(3)Sm3CrFe8 cuboctahedra, edges with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, edges with four equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with three equivalent Fe(2)Sm2CrFe9 cuboctahedra, faces with three equivalent Fe(3)Sm3CrFe8 cuboctahedra, and faces with four equivalent Fe(4)Sm3Fe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Sm(1), one Cr(1), three equivalent Fe(2), three equivalent Fe(4), and six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2CrFe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.439
_cell_length_b   6.439
_cell_length_c   6.439
_cell_angle_alpha   82.602
_cell_angle_beta   82.602
_cell_angle_gamma   82.602
_symmetry_Int_Tables_number   1
_cell_volume   260.866
_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
  Sm  Sm1  1  0.346  0.346  0.346  1.0
  Cr  Cr2  1  0.092  0.092  0.092  1.0
  Fe  Fe3  1  0.294  0.704  1.000  1.0
  Fe  Fe4  1  0.704  1.000  0.294  1.0
  Fe  Fe5  1  1.000  0.294  0.704  1.0
  Fe  Fe6  1  0.294  1.000  0.704  1.0
  Fe  Fe7  1  1.000  0.704  0.294  1.0
  Fe  Fe8  1  0.704  0.294  1.000  1.0
  Fe  Fe9  1  0.001  0.001  0.498  1.0
  Fe  Fe10  1  0.001  0.498  0.001  1.0
  Fe  Fe11  1  0.498  0.001  0.001  1.0
  Fe  Fe12  1  0.844  0.341  0.341  1.0
  Fe  Fe13  1  0.341  0.341  0.844  1.0
  Fe  Fe14  1  0.341  0.844  0.341  1.0
  Fe  Fe15  1  0.156  0.659  0.659  1.0
  Fe  Fe16  1  0.659  0.659  0.156  1.0
  Fe  Fe17  1  0.659  0.156  0.659  1.0
  Fe  Fe18  1  0.907  0.907  0.907  1.0
[/CIF]
.