SmY3Fe34 crystallizes in the hexagonal P-6m2 space group. Sm(1) is bonded in a 20-coordinate geometry to two equivalent Fe(1), six equivalent Fe(3), six equivalent Fe(5), and six equivalent Fe(7) atoms. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 20-coordinate geometry to two equivalent Fe(2), six equivalent Fe(4), six equivalent Fe(5), and six equivalent Fe(6) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Fe(3), six equivalent Fe(4), and six equivalent Fe(6) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to six equivalent Fe(3), six equivalent Fe(4), and six equivalent Fe(7) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(1), three equivalent Fe(3), three equivalent Fe(5), and six equivalent Fe(6) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Y(1), one Fe(2), three equivalent Fe(4), three equivalent Fe(5), and six equivalent Fe(7) atoms. In the third Fe site, Fe(7) is bonded in a 12-coordinate geometry to one Sm(1), one Y(3), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(7) atoms. In the fourth Fe site, Fe(3) is bonded to one Sm(1), one Y(2), one Y(3), one Fe(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSmY2Fe9 cuboctahedra that share corners with four equivalent Fe(4)Y3Fe9 cuboctahedra, corners with five equivalent Fe(5)SmYFe10 cuboctahedra, corners with six equivalent Fe(3)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(5)SmYFe10 cuboctahedra, edges with five equivalent Fe(4)Y3Fe9 cuboctahedra, faces with two equivalent Fe(5)SmYFe10 cuboctahedra, faces with two equivalent Fe(4)Y3Fe9 cuboctahedra, and faces with six equivalent Fe(3)SmY2Fe9 cuboctahedra. In the fifth Fe site, Fe(4) is bonded to one Y(1), one Y(2), one Y(3), one Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeY3Fe9 cuboctahedra that share corners with four equivalent Fe(3)SmY2Fe9 cuboctahedra, corners with five equivalent Fe(5)SmYFe10 cuboctahedra, corners with six equivalent Fe(4)Y3Fe9 cuboctahedra, edges with three equivalent Fe(5)SmYFe10 cuboctahedra, edges with five equivalent Fe(3)SmY2Fe9 cuboctahedra, faces with two equivalent Fe(3)SmY2Fe9 cuboctahedra, faces with two equivalent Fe(5)SmYFe10 cuboctahedra, and faces with six equivalent Fe(4)Y3Fe9 cuboctahedra. In the sixth Fe site, Fe(5) is bonded to one Sm(1), one Y(1), one Fe(1), one Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSmYFe10 cuboctahedra that share corners with four equivalent Fe(5)SmYFe10 cuboctahedra, corners with five equivalent Fe(3)SmY2Fe9 cuboctahedra, corners with five equivalent Fe(4)Y3Fe9 cuboctahedra, edges with three equivalent Fe(3)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(4)Y3Fe9 cuboctahedra, faces with two equivalent Fe(3)SmY2Fe9 cuboctahedra, faces with two equivalent Fe(4)Y3Fe9 cuboctahedra, and faces with six equivalent Fe(5)SmYFe10 cuboctahedra. In the seventh Fe site, Fe(6) is bonded in a 12-coordinate geometry to one Y(1), one Y(2), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(6) atoms.
SmY3Fe34 crystallizes in the hexagonal P-6m2 space group. Sm(1) is bonded in a 20-coordinate geometry to two equivalent Fe(1), six equivalent Fe(3), six equivalent Fe(5), and six equivalent Fe(7) atoms. Both Sm(1)-Fe(1) bond lengths are 2.96 Å. All Sm(1)-Fe(3) bond lengths are 3.15 Å. All Sm(1)-Fe(5) bond lengths are 3.22 Å. All Sm(1)-Fe(7) bond lengths are 3.04 Å. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 20-coordinate geometry to two equivalent Fe(2), six equivalent Fe(4), six equivalent Fe(5), and six equivalent Fe(6) atoms. Both Y(1)-Fe(2) bond lengths are 2.95 Å. All Y(1)-Fe(4) bond lengths are 3.14 Å. All Y(1)-Fe(5) bond lengths are 3.20 Å. All Y(1)-Fe(6) bond lengths are 3.04 Å. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Fe(3), six equivalent Fe(4), and six equivalent Fe(6) atoms. All Y(2)-Fe(3) bond lengths are 3.28 Å. All Y(2)-Fe(4) bond lengths are 3.13 Å. All Y(2)-Fe(6) bond lengths are 2.99 Å. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to six equivalent Fe(3), six equivalent Fe(4), and six equivalent Fe(7) atoms. All Y(3)-Fe(3) bond lengths are 3.13 Å. All Y(3)-Fe(4) bond lengths are 3.29 Å. All Y(3)-Fe(7) bond lengths are 2.99 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(1), three equivalent Fe(3), three equivalent Fe(5), and six equivalent Fe(6) atoms. The Fe(1)-Fe(1) bond length is 2.36 Å. All Fe(1)-Fe(3) bond lengths are 2.67 Å. All Fe(1)-Fe(5) bond lengths are 2.62 Å. All Fe(1)-Fe(6) bond lengths are 2.79 Å. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Y(1), one Fe(2), three equivalent Fe(4), three equivalent Fe(5), and six equivalent Fe(7) atoms. The Fe(2)-Fe(2) bond length is 2.36 Å. All Fe(2)-Fe(4) bond lengths are 2.67 Å. All Fe(2)-Fe(5) bond lengths are 2.61 Å. All Fe(2)-Fe(7) bond lengths are 2.79 Å. In the third Fe site, Fe(7) is bonded in a 12-coordinate geometry to one Sm(1), one Y(3), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(7) atoms. Both Fe(7)-Fe(3) bond lengths are 2.62 Å. Both Fe(7)-Fe(4) bond lengths are 2.53 Å. Both Fe(7)-Fe(5) bond lengths are 2.46 Å. There is one shorter (2.46 Å) and one longer (2.58 Å) Fe(7)-Fe(7) bond length. In the fourth Fe site, Fe(3) is bonded to one Sm(1), one Y(2), one Y(3), one Fe(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSmY2Fe9 cuboctahedra that share corners with four equivalent Fe(4)Y3Fe9 cuboctahedra, corners with five equivalent Fe(5)SmYFe10 cuboctahedra, corners with six equivalent Fe(3)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(5)SmYFe10 cuboctahedra, edges with five equivalent Fe(4)Y3Fe9 cuboctahedra, faces with two equivalent Fe(5)SmYFe10 cuboctahedra, faces with two equivalent Fe(4)Y3Fe9 cuboctahedra, and faces with six equivalent Fe(3)SmY2Fe9 cuboctahedra. Both Fe(3)-Fe(4) bond lengths are 2.46 Å. Both Fe(3)-Fe(5) bond lengths are 2.47 Å. Both Fe(3)-Fe(6) bond lengths are 2.52 Å. In the fifth Fe site, Fe(4) is bonded to one Y(1), one Y(2), one Y(3), one Fe(2), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeY3Fe9 cuboctahedra that share corners with four equivalent Fe(3)SmY2Fe9 cuboctahedra, corners with five equivalent Fe(5)SmYFe10 cuboctahedra, corners with six equivalent Fe(4)Y3Fe9 cuboctahedra, edges with three equivalent Fe(5)SmYFe10 cuboctahedra, edges with five equivalent Fe(3)SmY2Fe9 cuboctahedra, faces with two equivalent Fe(3)SmY2Fe9 cuboctahedra, faces with two equivalent Fe(5)SmYFe10 cuboctahedra, and faces with six equivalent Fe(4)Y3Fe9 cuboctahedra. Both Fe(4)-Fe(5) bond lengths are 2.46 Å. Both Fe(4)-Fe(6) bond lengths are 2.60 Å. In the sixth Fe site, Fe(5) is bonded to one Sm(1), one Y(1), one Fe(1), one Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSmYFe10 cuboctahedra that share corners with four equivalent Fe(5)SmYFe10 cuboctahedra, corners with five equivalent Fe(3)SmY2Fe9 cuboctahedra, corners with five equivalent Fe(4)Y3Fe9 cuboctahedra, edges with three equivalent Fe(3)SmY2Fe9 cuboctahedra, edges with three equivalent Fe(4)Y3Fe9 cuboctahedra, faces with two equivalent Fe(3)SmY2Fe9 cuboctahedra, faces with two equivalent Fe(4)Y3Fe9 cuboctahedra, and faces with six equivalent Fe(5)SmYFe10 cuboctahedra. Both Fe(5)-Fe(6) bond lengths are 2.45 Å. In the seventh Fe site, Fe(6) is bonded in a 12-coordinate geometry to one Y(1), one Y(2), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(6) atoms. There is one shorter (2.47 Å) and one longer (2.58 Å) Fe(6)-Fe(6) bond length.