The material structure described by Sm4ZrFe33 crystallizes in the monoclinic Cm space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 19-coordinate geometry to one Zr(1), one Fe(3), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(1), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(15), two equivalent Fe(17), and four equivalent Fe(5) atoms. In the second Sm site, Sm(2) is bonded in a 19-coordinate geometry to one Fe(10), one Fe(19), one Fe(4), one Fe(7), one Fe(8), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(2), and four equivalent Fe(6) atoms. In the third Sm site, Sm(3) is bonded in a 19-coordinate geometry to one Fe(20), one Fe(3), one Fe(4), one Fe(7), one Fe(9), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), two equivalent Fe(17), two equivalent Fe(5), and four equivalent Fe(1) atoms. In the fourth Sm site, Sm(4) is bonded in a 19-coordinate geometry to one Fe(10), one Fe(21), one Fe(3), one Fe(4), one Fe(8), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(6), and four equivalent Fe(2) atoms. Zr(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(21), one Fe(8), one Fe(9), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(16), two equivalent Fe(17), and two equivalent Fe(5) atoms. There are twenty-one inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sm(1), two equivalent Sm(3), one Fe(12), one Fe(14), one Fe(17), one Fe(20), one Fe(5), one Fe(7), one Fe(9), and two equivalent Fe(15) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(1)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(7)Sm3Fe9 cuboctahedra, corners with three equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Sm3ZrFe8 cuboctahedra, edges with two equivalent Fe(1)Sm3Fe9 cuboctahedra,  a faceface with one Fe(3)Sm3Fe9 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Sm(2), two equivalent Sm(4), one Fe(10), one Fe(11), one Fe(13), one Fe(18), one Fe(21), one Fe(6), one Fe(8), and two equivalent Fe(16) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(7)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra, corners with three equivalent Fe(6)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(3)Sm3Fe9 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to one Sm(1), one Sm(3), one Sm(4), one Fe(21), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(17), and two equivalent Fe(5) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with four equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(1)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to one Sm(2), one Sm(3), one Sm(4), one Fe(20), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(18), and two equivalent Fe(6) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(7)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra, corners with three equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(12)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(1)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded to one Sm(3), two equivalent Sm(1), one Zr(1), one Fe(1), one Fe(11), one Fe(13), one Fe(15), one Fe(3), one Fe(9), and two equivalent Fe(17) atoms to form distorted FeSm3ZrFe8 cuboctahedra that share  a cornercorner with one Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra, corners with three equivalent Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  a faceface with one Fe(3)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the sixth Fe site, Fe(6) is bonded to one Sm(4), two equivalent Sm(2), one Fe(10), one Fe(12), one Fe(14), one Fe(16), one Fe(19), one Fe(2), one Fe(4), and two equivalent Fe(18) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(1)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with three equivalent Fe(2)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(2)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the seventh Fe site, Fe(7) is bonded to one Sm(1), one Sm(2), one Sm(3), one Fe(19), two equivalent Fe(1), two equivalent Fe(12), two equivalent Fe(14), and two equivalent Fe(15) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with four equivalent Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(12)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the eighth Fe site, Fe(8) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), one Zr(1), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(16), and two equivalent Fe(2) atoms. In the ninth Fe site, Fe(9) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(3), one Zr(1), one Fe(20), two equivalent Fe(1), two equivalent Fe(15), two equivalent Fe(17), and two equivalent Fe(5) atoms. In the tenth Fe site, Fe(10) is bonded to one Sm(2), one Sm(4), one Fe(19), one Fe(21), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(2), and two equivalent Fe(6) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with three equivalent Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Sm3Fe9 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the eleventh Fe site, Fe(11) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(4), one Zr(1), one Fe(16), one Fe(17), one Fe(2), one Fe(21), one Fe(3), one Fe(5), one Fe(8), and two equivalent Fe(13) atoms. In the twelfth Fe site, Fe(12) is bonded to one Sm(2), one Sm(3), one Fe(1), one Fe(15), one Fe(18), one Fe(19), one Fe(20), one Fe(4), one Fe(6), one Fe(7), and two equivalent Fe(14) atoms to form FeSm2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(1)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  an edgeedge with one Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(2)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Sm3ZrFe8 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the thirteenth Fe site, Fe(13) is bonded in a 11-coordinate geometry to one Sm(1), one Sm(4), one Zr(1), one Fe(16), one Fe(17), one Fe(2), one Fe(3), one Fe(5), one Fe(8), and two equivalent Fe(11) atoms. In the fourteenth Fe site, Fe(14) is bonded in a 12-coordinate geometry to one Sm(2), one Sm(3), one Fe(1), one Fe(15), one Fe(18), one Fe(19), one Fe(20), one Fe(4), one Fe(6), one Fe(7), and two equivalent Fe(12) atoms. In the fifteenth Fe site, Fe(15) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(3), one Fe(12), one Fe(14), one Fe(15), one Fe(19), one Fe(20), one Fe(5), one Fe(7), one Fe(9), and two equivalent Fe(1) atoms. In the sixteenth Fe site, Fe(16) is bonded in a 12-coordinate geometry to one Sm(2), one Sm(4), one Zr(1), one Fe(10), one Fe(11), one Fe(13), one Fe(16), one Fe(21), one Fe(6), one Fe(8), and two equivalent Fe(2) atoms. In the seventeenth Fe site, Fe(17) is bonded in a 11-coordinate geometry to one Sm(1), one Sm(3), one Zr(1), one Fe(1), one Fe(11), one Fe(13), one Fe(17), one Fe(3), one Fe(9), and two equivalent Fe(5) atoms. In the eighteenth Fe site, Fe(18) is bonded in a 12-coordinate geometry to one Sm(2), one Sm(4), one Fe(10), one Fe(12), one Fe(14), one Fe(18), one Fe(19), one Fe(2), one Fe(20), one Fe(4), and two equivalent Fe(6) atoms. In the nineteenth Fe site, Fe(19) is bonded in a 14-coordinate geometry to one Sm(2), one Fe(10), one Fe(20), one Fe(7), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(6) atoms. In the twentieth Fe site, Fe(20) is bonded in a 14-coordinate geometry to one Sm(3), one Fe(19), one Fe(4), one Fe(9), two equivalent Fe(1), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), and two equivalent Fe(18) atoms. In the twenty-first Fe site, Fe(21) is bonded in a 1-coordinate geometry to one Sm(4), one Zr(1), one Fe(10), one Fe(3), two equivalent Fe(11), two equivalent Fe(16), and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm4ZrFe33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.470
_cell_length_b   6.470
_cell_length_c   13.020
_cell_angle_alpha   83.065
_cell_angle_beta   83.065
_cell_angle_gamma   82.869
_symmetry_Int_Tables_number   1
_cell_volume   533.709
_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  0.651  0.651  0.321  1.0
  Sm  Sm1  1  0.658  0.658  0.831  1.0
  Sm  Sm2  1  0.341  0.341  0.168  1.0
  Sm  Sm3  1  0.341  0.341  0.675  1.0
  Zr  Zr4  1  0.906  0.906  0.452  1.0
  Fe  Fe5  1  0.846  0.343  0.168  1.0
  Fe  Fe6  1  0.845  0.339  0.673  1.0
  Fe  Fe7  1  0.340  0.340  0.421  1.0
  Fe  Fe8  1  0.342  0.342  0.922  1.0
  Fe  Fe9  1  0.343  0.846  0.168  1.0
  Fe  Fe10  1  0.339  0.845  0.673  1.0
  Fe  Fe11  1  0.164  0.653  0.326  1.0
  Fe  Fe12  1  0.155  0.658  0.831  1.0
  Fe  Fe13  1  0.659  0.659  0.077  1.0
  Fe  Fe14  1  0.656  0.656  0.584  1.0
  Fe  Fe15  1  0.653  0.164  0.326  1.0
  Fe  Fe16  1  0.658  0.155  0.831  1.0
  Fe  Fe17  1  0.005  0.005  0.244  1.0
  Fe  Fe18  1  0.997  0.997  0.752  1.0
  Fe  Fe19  1  0.004  0.488  0.502  1.0
  Fe  Fe20  1  0.001  0.500  1.000  1.0
  Fe  Fe21  1  0.500  0.001  1.000  1.0
  Fe  Fe22  1  0.488  0.004  0.502  1.0
  Fe  Fe23  1  0.308  0.693  0.501  1.0
  Fe  Fe24  1  0.293  0.707  0.000  1.0
  Fe  Fe25  1  0.710  0.002  0.144  1.0
  Fe  Fe26  1  0.702  0.003  0.649  1.0
  Fe  Fe27  1  0.999  0.302  0.351  1.0
  Fe  Fe28  1  0.997  0.290  0.856  1.0
  Fe  Fe29  1  0.302  0.999  0.351  1.0
  Fe  Fe30  1  0.290  0.997  0.856  1.0
  Fe  Fe31  1  0.002  0.710  0.144  1.0
  Fe  Fe32  1  0.003  0.702  0.649  1.0
  Fe  Fe33  1  0.707  0.293  0.000  1.0
  Fe  Fe34  1  0.693  0.308  0.501  1.0
  Fe  Fe35  1  0.904  0.904  0.951  1.0
  Fe  Fe36  1  0.097  0.097  0.046  1.0
  Fe  Fe37  1  0.102  0.102  0.557  1.0
[/CIF]
.
The material structure described by Sm4ZrFe33 crystallizes in the monoclinic Cm space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 19-coordinate geometry to one Zr(1), one Fe(3), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(1), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(15), two equivalent Fe(17), and four equivalent Fe(5) atoms. In the second Sm site, Sm(2) is bonded in a 19-coordinate geometry to one Fe(10), one Fe(19), one Fe(4), one Fe(7), one Fe(8), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(2), and four equivalent Fe(6) atoms. In the third Sm site, Sm(3) is bonded in a 19-coordinate geometry to one Fe(20), one Fe(3), one Fe(4), one Fe(7), one Fe(9), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), two equivalent Fe(17), two equivalent Fe(5), and four equivalent Fe(1) atoms. In the fourth Sm site, Sm(4) is bonded in a 19-coordinate geometry to one Fe(10), one Fe(21), one Fe(3), one Fe(4), one Fe(8), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(6), and four equivalent Fe(2) atoms. Zr(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(21), one Fe(8), one Fe(9), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(16), two equivalent Fe(17), and two equivalent Fe(5) atoms. There are twenty-one inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sm(1), two equivalent Sm(3), one Fe(12), one Fe(14), one Fe(17), one Fe(20), one Fe(5), one Fe(7), one Fe(9), and two equivalent Fe(15) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(1)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(7)Sm3Fe9 cuboctahedra, corners with three equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Sm3ZrFe8 cuboctahedra, edges with two equivalent Fe(1)Sm3Fe9 cuboctahedra,  a faceface with one Fe(3)Sm3Fe9 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Sm(2), two equivalent Sm(4), one Fe(10), one Fe(11), one Fe(13), one Fe(18), one Fe(21), one Fe(6), one Fe(8), and two equivalent Fe(16) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(7)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra, corners with three equivalent Fe(6)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(3)Sm3Fe9 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to one Sm(1), one Sm(3), one Sm(4), one Fe(21), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(17), and two equivalent Fe(5) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with four equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(1)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to one Sm(2), one Sm(3), one Sm(4), one Fe(20), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(18), and two equivalent Fe(6) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(7)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra, corners with three equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(12)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(1)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the fifth Fe site, Fe(5) is bonded to one Sm(3), two equivalent Sm(1), one Zr(1), one Fe(1), one Fe(11), one Fe(13), one Fe(15), one Fe(3), one Fe(9), and two equivalent Fe(17) atoms to form distorted FeSm3ZrFe8 cuboctahedra that share  a cornercorner with one Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra, corners with three equivalent Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  a faceface with one Fe(3)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the sixth Fe site, Fe(6) is bonded to one Sm(4), two equivalent Sm(2), one Fe(10), one Fe(12), one Fe(14), one Fe(16), one Fe(19), one Fe(2), one Fe(4), and two equivalent Fe(18) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(10)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(1)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with three equivalent Fe(2)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(12)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(2)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the seventh Fe site, Fe(7) is bonded to one Sm(1), one Sm(2), one Sm(3), one Fe(19), two equivalent Fe(1), two equivalent Fe(12), two equivalent Fe(14), and two equivalent Fe(15) atoms to form FeSm3Fe9 cuboctahedra that share corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with four equivalent Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(12)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(6)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra. In the eighth Fe site, Fe(8) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(2), one Sm(4), one Zr(1), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(16), and two equivalent Fe(2) atoms. In the ninth Fe site, Fe(9) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(3), one Zr(1), one Fe(20), two equivalent Fe(1), two equivalent Fe(15), two equivalent Fe(17), and two equivalent Fe(5) atoms. In the tenth Fe site, Fe(10) is bonded to one Sm(2), one Sm(4), one Fe(19), one Fe(21), two equivalent Fe(16), two equivalent Fe(18), two equivalent Fe(2), and two equivalent Fe(6) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with three equivalent Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(3)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(2)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(6)Sm3Fe9 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(2)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the eleventh Fe site, Fe(11) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(4), one Zr(1), one Fe(16), one Fe(17), one Fe(2), one Fe(21), one Fe(3), one Fe(5), one Fe(8), and two equivalent Fe(13) atoms. In the twelfth Fe site, Fe(12) is bonded to one Sm(2), one Sm(3), one Fe(1), one Fe(15), one Fe(18), one Fe(19), one Fe(20), one Fe(4), one Fe(6), one Fe(7), and two equivalent Fe(14) atoms to form FeSm2Fe10 cuboctahedra that share  a cornercorner with one Fe(10)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(12)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(1)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(2)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(6)Sm3Fe9 cuboctahedra, corners with two equivalent Fe(5)Sm3ZrFe8 cuboctahedra,  an edgeedge with one Fe(1)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(2)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(6)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(7)Sm3Fe9 cuboctahedra,  an edgeedge with one Fe(5)Sm3ZrFe8 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(7)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(12)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(1)Sm3Fe9 cuboctahedra, and faces with two equivalent Fe(6)Sm3Fe9 cuboctahedra. In the thirteenth Fe site, Fe(13) is bonded in a 11-coordinate geometry to one Sm(1), one Sm(4), one Zr(1), one Fe(16), one Fe(17), one Fe(2), one Fe(3), one Fe(5), one Fe(8), and two equivalent Fe(11) atoms. In the fourteenth Fe site, Fe(14) is bonded in a 12-coordinate geometry to one Sm(2), one Sm(3), one Fe(1), one Fe(15), one Fe(18), one Fe(19), one Fe(20), one Fe(4), one Fe(6), one Fe(7), and two equivalent Fe(12) atoms. In the fifteenth Fe site, Fe(15) is bonded in a 12-coordinate geometry to one Sm(1), one Sm(3), one Fe(12), one Fe(14), one Fe(15), one Fe(19), one Fe(20), one Fe(5), one Fe(7), one Fe(9), and two equivalent Fe(1) atoms. In the sixteenth Fe site, Fe(16) is bonded in a 12-coordinate geometry to one Sm(2), one Sm(4), one Zr(1), one Fe(10), one Fe(11), one Fe(13), one Fe(16), one Fe(21), one Fe(6), one Fe(8), and two equivalent Fe(2) atoms. In the seventeenth Fe site, Fe(17) is bonded in a 11-coordinate geometry to one Sm(1), one Sm(3), one Zr(1), one Fe(1), one Fe(11), one Fe(13), one Fe(17), one Fe(3), one Fe(9), and two equivalent Fe(5) atoms. In the eighteenth Fe site, Fe(18) is bonded in a 12-coordinate geometry to one Sm(2), one Sm(4), one Fe(10), one Fe(12), one Fe(14), one Fe(18), one Fe(19), one Fe(2), one Fe(20), one Fe(4), and two equivalent Fe(6) atoms. In the nineteenth Fe site, Fe(19) is bonded in a 14-coordinate geometry to one Sm(2), one Fe(10), one Fe(20), one Fe(7), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(6) atoms. In the twentieth Fe site, Fe(20) is bonded in a 14-coordinate geometry to one Sm(3), one Fe(19), one Fe(4), one Fe(9), two equivalent Fe(1), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), and two equivalent Fe(18) atoms. In the twenty-first Fe site, Fe(21) is bonded in a 1-coordinate geometry to one Sm(4), one Zr(1), one Fe(10), one Fe(3), two equivalent Fe(11), two equivalent Fe(16), and two equivalent Fe(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm4ZrFe33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.470
_cell_length_b   6.470
_cell_length_c   13.020
_cell_angle_alpha   83.065
_cell_angle_beta   83.065
_cell_angle_gamma   82.869
_symmetry_Int_Tables_number   1
_cell_volume   533.709
_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  0.651  0.651  0.321  1.0
  Sm  Sm1  1  0.658  0.658  0.831  1.0
  Sm  Sm2  1  0.341  0.341  0.168  1.0
  Sm  Sm3  1  0.341  0.341  0.675  1.0
  Zr  Zr4  1  0.906  0.906  0.452  1.0
  Fe  Fe5  1  0.846  0.343  0.168  1.0
  Fe  Fe6  1  0.845  0.339  0.673  1.0
  Fe  Fe7  1  0.340  0.340  0.421  1.0
  Fe  Fe8  1  0.342  0.342  0.922  1.0
  Fe  Fe9  1  0.343  0.846  0.168  1.0
  Fe  Fe10  1  0.339  0.845  0.673  1.0
  Fe  Fe11  1  0.164  0.653  0.326  1.0
  Fe  Fe12  1  0.155  0.658  0.831  1.0
  Fe  Fe13  1  0.659  0.659  0.077  1.0
  Fe  Fe14  1  0.656  0.656  0.584  1.0
  Fe  Fe15  1  0.653  0.164  0.326  1.0
  Fe  Fe16  1  0.658  0.155  0.831  1.0
  Fe  Fe17  1  0.005  0.005  0.244  1.0
  Fe  Fe18  1  0.997  0.997  0.752  1.0
  Fe  Fe19  1  0.004  0.488  0.502  1.0
  Fe  Fe20  1  0.001  0.500  1.000  1.0
  Fe  Fe21  1  0.500  0.001  1.000  1.0
  Fe  Fe22  1  0.488  0.004  0.502  1.0
  Fe  Fe23  1  0.308  0.693  0.501  1.0
  Fe  Fe24  1  0.293  0.707  0.000  1.0
  Fe  Fe25  1  0.710  0.002  0.144  1.0
  Fe  Fe26  1  0.702  0.003  0.649  1.0
  Fe  Fe27  1  0.999  0.302  0.351  1.0
  Fe  Fe28  1  0.997  0.290  0.856  1.0
  Fe  Fe29  1  0.302  0.999  0.351  1.0
  Fe  Fe30  1  0.290  0.997  0.856  1.0
  Fe  Fe31  1  0.002  0.710  0.144  1.0
  Fe  Fe32  1  0.003  0.702  0.649  1.0
  Fe  Fe33  1  0.707  0.293  0.000  1.0
  Fe  Fe34  1  0.693  0.308  0.501  1.0
  Fe  Fe35  1  0.904  0.904  0.951  1.0
  Fe  Fe36  1  0.097  0.097  0.046  1.0
  Fe  Fe37  1  0.102  0.102  0.557  1.0
[/CIF]
.