Tb2Fe17CN crystallizes in the triclinic P-1 space group. Tb(1) is bonded in a distorted bent 120 degrees geometry to one Fe(10), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(3), three equivalent Fe(7), 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 single-bond geometry to one Fe(10), one Fe(3), one Fe(7), one Fe(9), two equivalent Fe(4), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(7), one Fe(8), two equivalent Fe(4), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), one Fe(1), one Fe(2), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(4), and two equivalent Fe(7) atoms to form distorted FeTb2Fe10 cuboctahedra that share  a cornercorner with one Fe(8)Tb2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, corners with two equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(3)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Tb2Fe10 cuboctahedra,  an edgeedge with one C(1)Tb2Fe4 octahedra,  an edgeedge with one N(1)Tb2Fe4 octahedra,  a faceface with one Fe(3)Tb2Fe10 cuboctahedra,  a faceface with one Fe(8)Tb2Fe10 cuboctahedra,  a faceface with one Fe(9)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(7)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tb(1), one Fe(10), one Fe(4), one Fe(5), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(7), one Fe(9), 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(3), one Fe(4), one Fe(7), one Fe(8), and one N(1) atom. In the seventh Fe site, Fe(7) is bonded to three equivalent Tb(1), one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(3) atoms to form FeTb3Fe9 cuboctahedra that share  a cornercorner with one Fe(8)Tb2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with three equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, corners with two equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(10)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Tb3Fe9 cuboctahedra,  a faceface with one Fe(10)Tb2Fe10 cuboctahedra,  a faceface with one Fe(8)Tb2Fe10 cuboctahedra,  a faceface with one Fe(9)Tb2Fe10 cuboctahedra,  a faceface with one Fe(7)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra,  a faceface with one C(1)Tb2Fe4 octahedra, and  a faceface with one N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. In the eighth Fe site, Fe(8) is bonded to two equivalent Tb(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(9)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the ninth Fe site, Fe(9) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(7) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(8)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(8)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra, and faces with two equivalent C(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the tenth Fe site, Fe(10) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(6) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(8)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(9)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with six equivalent Fe(7)Tb3Fe9 cuboctahedra, edges with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(8)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent C(1)Tb2Fe4 octahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. C(1) is bonded to two equivalent Tb(1), two equivalent Fe(1), and two equivalent Fe(5) atoms to form CTb2Fe4 octahedra that share corners with two equivalent Fe(8)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tb2Fe10 cuboctahedra, and faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°. N(1) is bonded to two equivalent Tb(1), two equivalent Fe(2), and two equivalent Fe(6) atoms to form NTb2Fe4 octahedra that share corners with two equivalent Fe(9)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(8)Tb2Fe10 cuboctahedra, and faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°.
Tb2Fe17CN crystallizes in the triclinic P-1 space group. Tb(1) is bonded in a distorted bent 120 degrees geometry to one Fe(10), one Fe(4), one Fe(8), one Fe(9), two equivalent Fe(3), three equivalent Fe(7), one C(1), and one N(1) atom. The Tb(1)-Fe(10) bond length is 3.33 Å. The Tb(1)-Fe(4) bond length is 3.07 Å. The Tb(1)-Fe(8) bond length is 3.28 Å. The Tb(1)-Fe(9) bond length is 3.32 Å. There is one shorter (3.06 Å) and one longer (3.07 Å) Tb(1)-Fe(3) bond length. There are a spread of Tb(1)-Fe(7) bond distances ranging from 3.10-3.34 Å. The Tb(1)-C(1) bond length is 2.53 Å. The Tb(1)-N(1) bond length is 2.45 Å. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(7), one Fe(9), two equivalent Fe(4), and one C(1) atom. The Fe(1)-Fe(10) bond length is 2.44 Å. The Fe(1)-Fe(3) bond length is 2.47 Å. The Fe(1)-Fe(7) bond length is 2.57 Å. The Fe(1)-Fe(9) bond length is 2.43 Å. There is one shorter (2.73 Å) and one longer (2.74 Å) Fe(1)-Fe(4) bond length. The Fe(1)-C(1) bond length is 1.85 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(7), one Fe(8), two equivalent Fe(4), and one N(1) atom. The Fe(2)-Fe(10) bond length is 2.43 Å. The Fe(2)-Fe(3) bond length is 2.49 Å. The Fe(2)-Fe(7) bond length is 2.56 Å. The Fe(2)-Fe(8) bond length is 2.44 Å. Both Fe(2)-Fe(4) bond lengths are 2.72 Å. The Fe(2)-N(1) bond length is 1.88 Å. In the third Fe site, Fe(3) is bonded to two equivalent Tb(1), one Fe(1), one Fe(2), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(4), and two equivalent Fe(7) atoms to form distorted FeTb2Fe10 cuboctahedra that share  a cornercorner with one Fe(8)Tb2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, corners with two equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(3)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Tb2Fe10 cuboctahedra,  an edgeedge with one C(1)Tb2Fe4 octahedra,  an edgeedge with one N(1)Tb2Fe4 octahedra,  a faceface with one Fe(3)Tb2Fe10 cuboctahedra,  a faceface with one Fe(8)Tb2Fe10 cuboctahedra,  a faceface with one Fe(9)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, and faces with four equivalent Fe(7)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-29°. The Fe(3)-Fe(5) bond length is 2.58 Å. The Fe(3)-Fe(6) bond length is 2.56 Å. The Fe(3)-Fe(8) bond length is 2.45 Å. The Fe(3)-Fe(9) bond length is 2.44 Å. Both Fe(3)-Fe(4) bond lengths are 2.76 Å. There is one shorter (2.61 Å) and one longer (2.63 Å) Fe(3)-Fe(7) bond length. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Tb(1), one Fe(10), one Fe(4), one Fe(5), one Fe(6), one Fe(7), one Fe(8), one Fe(9), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. The Fe(4)-Fe(10) bond length is 2.66 Å. The Fe(4)-Fe(4) bond length is 2.38 Å. The Fe(4)-Fe(5) bond length is 2.65 Å. The Fe(4)-Fe(6) bond length is 2.65 Å. The Fe(4)-Fe(7) bond length is 2.67 Å. The Fe(4)-Fe(8) bond length is 2.64 Å. The Fe(4)-Fe(9) bond length is 2.62 Å. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(7), one Fe(9), and one C(1) atom. The Fe(5)-Fe(10) bond length is 2.47 Å. The Fe(5)-Fe(7) bond length is 2.52 Å. The Fe(5)-Fe(9) bond length is 2.47 Å. The Fe(5)-C(1) bond length is 1.92 Å. In the sixth Fe site, Fe(6) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(7), one Fe(8), and one N(1) atom. The Fe(6)-Fe(10) bond length is 2.48 Å. The Fe(6)-Fe(7) bond length is 2.54 Å. The Fe(6)-Fe(8) bond length is 2.48 Å. The Fe(6)-N(1) bond length is 1.93 Å. In the seventh Fe site, Fe(7) is bonded to three equivalent Tb(1), one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(3) atoms to form FeTb3Fe9 cuboctahedra that share  a cornercorner with one Fe(8)Tb2Fe10 cuboctahedra,  a cornercorner with one Fe(9)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with three equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, corners with two equivalent N(1)Tb2Fe4 octahedra,  an edgeedge with one Fe(10)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(8)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(9)Tb2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Tb3Fe9 cuboctahedra,  a faceface with one Fe(10)Tb2Fe10 cuboctahedra,  a faceface with one Fe(8)Tb2Fe10 cuboctahedra,  a faceface with one Fe(9)Tb2Fe10 cuboctahedra,  a faceface with one Fe(7)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra,  a faceface with one C(1)Tb2Fe4 octahedra, and  a faceface with one N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-69°. The Fe(7)-Fe(8) bond length is 2.46 Å. The Fe(7)-Fe(9) bond length is 2.46 Å. In the eighth Fe site, Fe(8) is bonded to two equivalent Tb(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(9)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the ninth Fe site, Fe(9) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(7) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(8)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, edges with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(8)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra, and faces with two equivalent C(1)Tb2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the tenth Fe site, Fe(10) is bonded to two equivalent Tb(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(5), and two equivalent Fe(6) atoms to form FeTb2Fe10 cuboctahedra that share corners with two equivalent Fe(8)Tb2Fe10 cuboctahedra, corners with two equivalent Fe(9)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with six equivalent Fe(7)Tb3Fe9 cuboctahedra, edges with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with two equivalent Fe(8)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra, faces with four equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent C(1)Tb2Fe4 octahedra, and faces with two equivalent N(1)Tb2Fe4 octahedra. C(1) is bonded to two equivalent Tb(1), two equivalent Fe(1), and two equivalent Fe(5) atoms to form CTb2Fe4 octahedra that share corners with two equivalent Fe(8)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent N(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(9)Tb2Fe10 cuboctahedra, and faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°. N(1) is bonded to two equivalent Tb(1), two equivalent Fe(2), and two equivalent Fe(6) atoms to form NTb2Fe4 octahedra that share corners with two equivalent Fe(9)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(3)Tb2Fe10 cuboctahedra, corners with four equivalent Fe(7)Tb3Fe9 cuboctahedra, corners with two equivalent C(1)Tb2Fe4 octahedra, edges with two equivalent Fe(3)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(10)Tb2Fe10 cuboctahedra, faces with two equivalent Fe(8)Tb2Fe10 cuboctahedra, and faces with two equivalent Fe(7)Tb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 61°.