Tb3FeAlS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Fe(1) is bonded to six equivalent S(3) atoms to form face-sharing FeS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Tb(1) and one Al(1) atom to form corner-sharing STb3Al tetrahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Tb(1) and one Al(1) atom. In the third S site, S(3) is bonded to four equivalent Tb(1) and two equivalent Fe(1) atoms to form distorted STb4Fe2 pentagonal pyramids that share corners with four equivalent S(3)Tb4Fe2 pentagonal pyramids, corners with four equivalent S(1)Tb3Al tetrahedra, and faces with six equivalent S(3)Tb4Fe2 pentagonal pyramids.
Tb3FeAlS7 crystallizes in the hexagonal P6_3 space group. Tb(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. The Tb(1)-S(1) bond length is 2.83 Å. There is one shorter (2.76 Å) and two longer (2.86 Å) Tb(1)-S(2) bond lengths. There are a spread of Tb(1)-S(3) bond distances ranging from 2.82-3.26 Å. Fe(1) is bonded to six equivalent S(3) atoms to form face-sharing FeS6 octahedra. There are three shorter (2.50 Å) and three longer (2.57 Å) Fe(1)-S(3) bond lengths. Al(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. The Al(1)-S(1) bond length is 2.21 Å. All Al(1)-S(2) bond lengths are 2.25 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Tb(1) and one Al(1) atom to form corner-sharing STb3Al tetrahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Tb(1) and one Al(1) atom. In the third S site, S(3) is bonded to four equivalent Tb(1) and two equivalent Fe(1) atoms to form distorted STb4Fe2 pentagonal pyramids that share corners with four equivalent S(3)Tb4Fe2 pentagonal pyramids, corners with four equivalent S(1)Tb3Al tetrahedra, and faces with six equivalent S(3)Tb4Fe2 pentagonal pyramids.