Sm2Fe17CN crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Fe(10), one Fe(8), one Fe(9), two equivalent Fe(7), three equivalent Fe(4), one C(1), and one N(1) atom. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(1), one Fe(10), one Fe(2), one Fe(3), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1), one Fe(10), one Fe(4), one Fe(7), one Fe(9), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(1), one Fe(10), one Fe(4), one Fe(7), one Fe(8), and one N(1) atom. In the fourth Fe site, Fe(4) is bonded to three equivalent Sm(1), one Fe(1), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(7) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(8)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with three equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(8)Sm2Fe10 cuboctahedra,  a faceface with one Fe(9)Sm2Fe10 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(7)Sm2Fe10 cuboctahedra,  a faceface with one C(1)Sm2Fe4 octahedra, and  a faceface with one N(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-70°. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(10), one Fe(4), one Fe(7), one Fe(9), two equivalent Fe(1), and one C(1) atom. In the sixth Fe site, Fe(6) is bonded in a single-bond geometry to one Fe(10), one Fe(4), one Fe(7), one Fe(8), two equivalent Fe(1), and one N(1) atom. In the seventh Fe site, Fe(7) is bonded to two equivalent Sm(1), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(1), and two equivalent Fe(4) atoms to form distorted FeSm2Fe10 cuboctahedra that share  a cornercorner with one Fe(8)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(7)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Sm2Fe10 cuboctahedra,  an edgeedge with one C(1)Sm2Fe4 octahedra,  an edgeedge with one N(1)Sm2Fe4 octahedra,  a faceface with one Fe(7)Sm2Fe10 cuboctahedra,  a faceface with one Fe(8)Sm2Fe10 cuboctahedra,  a faceface with one Fe(9)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, and faces with four equivalent Fe(4)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-30°. In the eighth Fe site, Fe(8) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(9)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the ninth Fe site, Fe(9) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(7) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(8)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(8)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with two equivalent C(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 43°. In the tenth Fe site, Fe(10) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(6) atoms to form FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(8)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(9)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with six equivalent Fe(4)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(8)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent C(1)Sm2Fe4 octahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. C(1) is bonded to two equivalent Sm(1), two equivalent Fe(2), and two equivalent Fe(5) atoms to form CSm2Fe4 octahedra that share corners with two equivalent Fe(8)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Sm2Fe10 cuboctahedra, and faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(3), and two equivalent Fe(6) atoms to form NSm2Fe4 octahedra that share corners with two equivalent Fe(9)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(8)Sm2Fe10 cuboctahedra, and faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°.
Sm2Fe17CN crystallizes in the triclinic P-1 space group. Sm(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Fe(10), one Fe(8), one Fe(9), two equivalent Fe(7), three equivalent Fe(4), one C(1), and one N(1) atom. The Sm(1)-Fe(1) bond length is 3.07 Å. The Sm(1)-Fe(10) bond length is 3.34 Å. The Sm(1)-Fe(8) bond length is 3.30 Å. The Sm(1)-Fe(9) bond length is 3.36 Å. There is one shorter (3.11 Å) and one longer (3.12 Å) Sm(1)-Fe(7) bond length. There are a spread of Sm(1)-Fe(4) bond distances ranging from 3.14-3.37 Å. The Sm(1)-C(1) bond length is 2.57 Å. The Sm(1)-N(1) bond length is 2.46 Å. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(1), one Fe(10), one Fe(2), one Fe(3), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms. The Fe(1)-Fe(1) bond length is 2.40 Å. The Fe(1)-Fe(10) bond length is 2.68 Å. The Fe(1)-Fe(2) bond length is 2.67 Å. The Fe(1)-Fe(3) bond length is 2.67 Å. The Fe(1)-Fe(4) bond length is 2.67 Å. The Fe(1)-Fe(8) bond length is 2.67 Å. The Fe(1)-Fe(9) bond length is 2.65 Å. There is one shorter (2.73 Å) and one longer (2.74 Å) Fe(1)-Fe(5) bond length. There is one shorter (2.73 Å) and one longer (2.75 Å) Fe(1)-Fe(6) bond length. There is one shorter (2.78 Å) and one longer (2.79 Å) Fe(1)-Fe(7) bond length. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1), one Fe(10), one Fe(4), one Fe(7), one Fe(9), and one C(1) atom. The Fe(2)-Fe(10) bond length is 2.49 Å. The Fe(2)-Fe(4) bond length is 2.57 Å. The Fe(2)-Fe(7) bond length is 2.59 Å. The Fe(2)-Fe(9) bond length is 2.49 Å. The Fe(2)-C(1) bond length is 1.92 Å. In the third Fe site, Fe(3) is bonded in a single-bond geometry to one Fe(1), one Fe(10), one Fe(4), one Fe(7), one Fe(8), and one N(1) atom. The Fe(3)-Fe(10) bond length is 2.51 Å. The Fe(3)-Fe(4) bond length is 2.60 Å. The Fe(3)-Fe(7) bond length is 2.57 Å. The Fe(3)-Fe(8) bond length is 2.50 Å. The Fe(3)-N(1) bond length is 1.94 Å. In the fourth Fe site, Fe(4) is bonded to three equivalent Sm(1), one Fe(1), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(7) atoms to form FeSm3Fe9 cuboctahedra that share  a cornercorner with one Fe(8)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with three equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(10)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(4)Sm3Fe9 cuboctahedra,  a faceface with one Fe(10)Sm2Fe10 cuboctahedra,  a faceface with one Fe(8)Sm2Fe10 cuboctahedra,  a faceface with one Fe(9)Sm2Fe10 cuboctahedra,  a faceface with one Fe(4)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(7)Sm2Fe10 cuboctahedra,  a faceface with one C(1)Sm2Fe4 octahedra, and  a faceface with one N(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-70°. The Fe(4)-Fe(5) bond length is 2.60 Å. The Fe(4)-Fe(6) bond length is 2.59 Å. The Fe(4)-Fe(8) bond length is 2.48 Å. The Fe(4)-Fe(9) bond length is 2.49 Å. There is one shorter (2.63 Å) and one longer (2.65 Å) Fe(4)-Fe(7) bond length. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(10), one Fe(4), one Fe(7), one Fe(9), two equivalent Fe(1), and one C(1) atom. The Fe(5)-Fe(10) bond length is 2.46 Å. The Fe(5)-Fe(7) bond length is 2.48 Å. The Fe(5)-Fe(9) bond length is 2.44 Å. The Fe(5)-C(1) bond length is 1.89 Å. In the sixth Fe site, Fe(6) is bonded in a single-bond geometry to one Fe(10), one Fe(4), one Fe(7), one Fe(8), two equivalent Fe(1), and one N(1) atom. The Fe(6)-Fe(10) bond length is 2.45 Å. The Fe(6)-Fe(7) bond length is 2.48 Å. The Fe(6)-Fe(8) bond length is 2.44 Å. The Fe(6)-N(1) bond length is 1.92 Å. In the seventh Fe site, Fe(7) is bonded to two equivalent Sm(1), one Fe(2), one Fe(3), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(1), and two equivalent Fe(4) atoms to form distorted FeSm2Fe10 cuboctahedra that share  a cornercorner with one Fe(8)Sm2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, corners with two equivalent N(1)Sm2Fe4 octahedra,  an edgeedge with one Fe(7)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Sm2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Sm2Fe10 cuboctahedra,  an edgeedge with one C(1)Sm2Fe4 octahedra,  an edgeedge with one N(1)Sm2Fe4 octahedra,  a faceface with one Fe(7)Sm2Fe10 cuboctahedra,  a faceface with one Fe(8)Sm2Fe10 cuboctahedra,  a faceface with one Fe(9)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, and faces with four equivalent Fe(4)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-30°. The Fe(7)-Fe(8) bond length is 2.46 Å. The Fe(7)-Fe(9) bond length is 2.45 Å. In the eighth Fe site, Fe(8) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(9)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the ninth Fe site, Fe(9) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(7) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(8)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, edges with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(8)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra, and faces with two equivalent C(1)Sm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 43°. In the tenth Fe site, Fe(10) is bonded to two equivalent Sm(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(6) atoms to form FeSm2Fe10 cuboctahedra that share corners with two equivalent Fe(8)Sm2Fe10 cuboctahedra, corners with two equivalent Fe(9)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with six equivalent Fe(4)Sm3Fe9 cuboctahedra, edges with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with two equivalent Fe(8)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra, faces with four equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent C(1)Sm2Fe4 octahedra, and faces with two equivalent N(1)Sm2Fe4 octahedra. C(1) is bonded to two equivalent Sm(1), two equivalent Fe(2), and two equivalent Fe(5) atoms to form CSm2Fe4 octahedra that share corners with two equivalent Fe(8)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent N(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(9)Sm2Fe10 cuboctahedra, and faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(3), and two equivalent Fe(6) atoms to form NSm2Fe4 octahedra that share corners with two equivalent Fe(9)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(7)Sm2Fe10 cuboctahedra, corners with four equivalent Fe(4)Sm3Fe9 cuboctahedra, corners with two equivalent C(1)Sm2Fe4 octahedra, edges with two equivalent Fe(7)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(10)Sm2Fe10 cuboctahedra, faces with two equivalent Fe(8)Sm2Fe10 cuboctahedra, and faces with two equivalent Fe(4)Sm3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°.