Sm3NiAlS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. Ni(1) is bonded to six equivalent S(1) atoms to form face-sharing NiS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sm(1) and two equivalent Ni(1) atoms to form distorted SSm3Ni2 square pyramids that share corners with two equivalent S(1)Sm3Ni2 square pyramids, corners with three equivalent S(3)Sm3Al tetrahedra, edges with four equivalent S(1)Sm3Ni2 square pyramids, and faces with two equivalent S(1)Sm3Ni2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Sm(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent Sm(1) and one Al(1) atom to form distorted corner-sharing SSm3Al tetrahedra.
Sm3NiAlS7 crystallizes in the hexagonal P6_3 space group. Sm(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. The Sm(1)-S(3) bond length is 2.83 Å. There are a spread of Sm(1)-S(1) bond distances ranging from 2.79-2.92 Å. There are a spread of Sm(1)-S(2) bond distances ranging from 2.83-2.96 Å. Ni(1) is bonded to six equivalent S(1) atoms to form face-sharing NiS6 octahedra. There are three shorter (2.40 Å) and three longer (2.56 Å) Ni(1)-S(1) bond lengths. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. The Al(1)-S(3) bond length is 2.23 Å. All Al(1)-S(2) bond lengths are 2.24 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sm(1) and two equivalent Ni(1) atoms to form distorted SSm3Ni2 square pyramids that share corners with two equivalent S(1)Sm3Ni2 square pyramids, corners with three equivalent S(3)Sm3Al tetrahedra, edges with four equivalent S(1)Sm3Ni2 square pyramids, and faces with two equivalent S(1)Sm3Ni2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Sm(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent Sm(1) and one Al(1) atom to form distorted corner-sharing SSm3Al tetrahedra.