SmNiAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to three equivalent Sm(2), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Sm site, Sm(2) is bonded in a 16-coordinate geometry to one Sm(2), three equivalent Sm(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Sm(2), four equivalent Sm(1), two equivalent Al(1), and four equivalent Al(2) atoms to form NiSm6Al6 cuboctahedra that share corners with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with eight equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Ni(1)Sm6Al6 cuboctahedra, edges with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Sm(1), four equivalent Sm(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form distorted NiSm6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with six equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with two equivalent Ni(1)Sm6Al6 cuboctahedra, faces with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Sm(1), four equivalent Sm(2), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiSm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, edges with four equivalent Ni(1)Sm6Al6 cuboctahedra, faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Sm6Al2Ni4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Sm(1), three equivalent Sm(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Al(2) atoms to form distorted AlSm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with two equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Al(1)Sm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(1)Sm6Al6 cuboctahedra, faces with six equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(2)Sm6Al4Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Sm(2), four equivalent Sm(1), two equivalent Ni(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlSm6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, corners with six equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(1)Sm6Al6 cuboctahedra, faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, and faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra.
SmNiAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 12-coordinate geometry to three equivalent Sm(2), one Ni(3), two equivalent Ni(1), two equivalent Ni(2), three equivalent Al(1), and four equivalent Al(2) atoms. There are two shorter (3.28 Å) and one longer (3.31 Å) Sm(1)-Sm(2) bond length. The Sm(1)-Ni(3) bond length is 2.96 Å. Both Sm(1)-Ni(1) bond lengths are 3.26 Å. Both Sm(1)-Ni(2) bond lengths are 2.95 Å. All Sm(1)-Al(1) bond lengths are 3.17 Å. There are two shorter (3.22 Å) and two longer (3.25 Å) Sm(1)-Al(2) bond lengths. In the second Sm site, Sm(2) is bonded in a 16-coordinate geometry to one Sm(2), three equivalent Sm(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Sm(2)-Sm(2) bond length is 3.01 Å. The Sm(2)-Ni(1) bond length is 3.15 Å. Both Sm(2)-Ni(3) bond lengths are 3.12 Å. There are two shorter (3.07 Å) and two longer (3.13 Å) Sm(2)-Ni(2) bond lengths. Both Sm(2)-Al(2) bond lengths are 3.17 Å. There is one shorter (3.10 Å) and two longer (3.23 Å) Sm(2)-Al(1) bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Sm(2), four equivalent Sm(1), two equivalent Al(1), and four equivalent Al(2) atoms to form NiSm6Al6 cuboctahedra that share corners with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with eight equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Ni(1)Sm6Al6 cuboctahedra, edges with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra. Both Ni(1)-Al(1) bond lengths are 2.70 Å. There are two shorter (2.68 Å) and two longer (2.74 Å) Ni(1)-Al(2) bond lengths. In the second Ni site, Ni(2) is bonded to two equivalent Sm(1), four equivalent Sm(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form distorted NiSm6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with six equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with two equivalent Ni(1)Sm6Al6 cuboctahedra, faces with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra. There is one shorter (2.71 Å) and one longer (2.76 Å) Ni(2)-Ni(2) bond length. There is one shorter (2.66 Å) and one longer (2.75 Å) Ni(2)-Ni(3) bond length. Both Ni(2)-Al(1) bond lengths are 2.57 Å. In the third Ni site, Ni(3) is bonded to two equivalent Sm(1), four equivalent Sm(2), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiSm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, edges with four equivalent Ni(1)Sm6Al6 cuboctahedra, faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Sm6Al2Ni4 cuboctahedra. Both Ni(3)-Al(1) bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Sm(1), three equivalent Sm(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Al(2) atoms to form distorted AlSm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with two equivalent Ni(1)Sm6Al6 cuboctahedra, corners with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Al(1)Sm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(1)Sm6Al6 cuboctahedra, faces with six equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(2)Sm6Al4Ni2 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.74 Å. In the second Al site, Al(2) is bonded to two equivalent Sm(2), four equivalent Sm(1), two equivalent Ni(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlSm6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, corners with six equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with four equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(2)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(3)Sm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(1)Sm6Al6 cuboctahedra, faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, and faces with six equivalent Al(1)Sm6Al2Ni4 cuboctahedra. There is one shorter (2.71 Å) and one longer (2.77 Å) Al(2)-Al(2) bond length.