SmNiAl crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two 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 Sm(1,1); three equivalent Ni(2); four equivalent Ni(1); one Al(1); two equivalent Al(2); and two equivalent Al(3) atoms. In the third Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the fourth Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. In the fifth Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two Sm(1,1); four equivalent Sm(2); two equivalent Ni(1); two equivalent Ni(2); and two equivalent Al(3) atoms to form distorted NiSm6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, corners with six equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with two equivalent Al(1)Sm6Al4Ni2 cuboctahedra, faces with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, and faces with four equivalent Al(3)Sm6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to three Sm(1,1); three equivalent Sm(2); two equivalent Ni(1); one Al(1); one Al(3); and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Sm(2); four Sm(1,1); two equivalent Ni(2); and four equivalent Al(2) atoms to form distorted AlSm6Al4Ni2 cuboctahedra that share corners with two equivalent Al(3)Sm6Ni6 cuboctahedra, corners with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, corners with eight equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Al(1)Sm6Al4Ni2 cuboctahedra, edges with four equivalent Al(3)Sm6Ni6 cuboctahedra, faces with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Sm(2); four Sm(1,1,1,1); two equivalent Ni(2); two equivalent Al(1); and two equivalent Al(2) atoms to form distorted AlSm6Al4Ni2 cuboctahedra that share corners with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, corners with four equivalent Al(3)Sm6Ni6 cuboctahedra, corners with six equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Al(3)Sm6Ni6 cuboctahedra, faces with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, and faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra. In the third Al site, Al(3) is bonded to two Sm(1,1); four equivalent Sm(2); two equivalent Ni(2); and four equivalent Ni(1) atoms to form distorted AlSm6Ni6 cuboctahedra that share corners with two equivalent Al(1)Sm6Al4Ni2 cuboctahedra, corners with four equivalent Al(3)Sm6Ni6 cuboctahedra, corners with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Al(3)Sm6Ni6 cuboctahedra, edges with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, and faces with eight equivalent Ni(1)Sm6Al2Ni4 cuboctahedra.
SmNiAl crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. The Sm(1)-Sm(1) bond length is 3.71 Å. There is one shorter (3.14 Å) and two longer (3.31 Å) Sm(1)-Sm(2) bond lengths. Both Sm(1)-Ni(1) bond lengths are 2.95 Å. There is one shorter (3.10 Å) and two longer (3.15 Å) Sm(1)-Ni(2) bond lengths. The Sm(1)-Al(3) bond length is 3.17 Å. Both Sm(1)-Al(1) bond lengths are 3.32 Å. There are two shorter (3.23 Å) and two longer (3.29 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 Sm(1,1); three equivalent Ni(2); four equivalent Ni(1); one Al(1); two equivalent Al(2); and two equivalent Al(3) atoms. The Sm(2)-Sm(2) bond length is 3.21 Å. Both Sm(2)-Sm(1) bond lengths are 3.31 Å. There is one shorter (3.18 Å) and two longer (3.21 Å) Sm(2)-Ni(2) bond lengths. There are two shorter (3.01 Å) and two longer (3.24 Å) Sm(2)-Ni(1) bond lengths. The Sm(2)-Al(1) bond length is 3.18 Å. Both Sm(2)-Al(2) bond lengths are 3.19 Å. Both Sm(2)-Al(3) bond lengths are 3.20 Å. In the third Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. There is one shorter (3.14 Å) and two longer (3.31 Å) Sm(1)-Sm(2) bond lengths. Both Sm(1)-Ni(1) bond lengths are 2.95 Å. There is one shorter (3.10 Å) and two longer (3.15 Å) Sm(1)-Ni(2) bond lengths. The Sm(1)-Al(3) bond length is 3.17 Å. Both Sm(1)-Al(1) bond lengths are 3.32 Å. There are two shorter (3.23 Å) and two longer (3.29 Å) Sm(1)-Al(2) bond lengths. In the fourth Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. The Sm(1)-Sm(1) bond length is 3.71 Å. Both Sm(1)-Ni(1) bond lengths are 2.95 Å. There is one shorter (3.10 Å) and two longer (3.15 Å) Sm(1)-Ni(2) bond lengths. The Sm(1)-Al(3) bond length is 3.17 Å. Both Sm(1)-Al(1) bond lengths are 3.32 Å. There are two shorter (3.23 Å) and two longer (3.29 Å) Sm(1)-Al(2) bond lengths. In the fifth Sm site, Sm(1) is bonded in a 16-coordinate geometry to one Sm(1), three equivalent Sm(2), two equivalent Ni(1), three equivalent Ni(2), one Al(3), two equivalent Al(1), and four equivalent Al(2) atoms. There is one shorter (3.14 Å) and two longer (3.31 Å) Sm(1)-Sm(2) bond lengths. Both Sm(1)-Ni(1) bond lengths are 2.95 Å. There is one shorter (3.10 Å) and two longer (3.15 Å) Sm(1)-Ni(2) bond lengths. The Sm(1)-Al(3) bond length is 3.17 Å. Both Sm(1)-Al(1) bond lengths are 3.32 Å. There are two shorter (3.23 Å) and two longer (3.29 Å) Sm(1)-Al(2) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two Sm(1,1); four equivalent Sm(2); two equivalent Ni(1); two equivalent Ni(2); and two equivalent Al(3) atoms to form distorted NiSm6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, corners with six equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with two equivalent Al(1)Sm6Al4Ni2 cuboctahedra, faces with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, faces with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, and faces with four equivalent Al(3)Sm6Ni6 cuboctahedra. There is one shorter (2.65 Å) and one longer (2.86 Å) Ni(1)-Ni(1) bond length. Both Ni(1)-Ni(2) bond lengths are 2.81 Å. There is one shorter (2.47 Å) and one longer (2.89 Å) Ni(1)-Al(3) bond length. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to three Sm(1,1); three equivalent Sm(2); two equivalent Ni(1); one Al(1); one Al(3); and two equivalent Al(2) atoms. The Ni(2)-Al(1) bond length is 2.58 Å. The Ni(2)-Al(3) bond length is 2.57 Å. Both Ni(2)-Al(2) bond lengths are 2.58 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent Sm(2); four Sm(1,1); two equivalent Ni(2); and four equivalent Al(2) atoms to form distorted AlSm6Al4Ni2 cuboctahedra that share corners with two equivalent Al(3)Sm6Ni6 cuboctahedra, corners with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, corners with eight equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Al(1)Sm6Al4Ni2 cuboctahedra, edges with four equivalent Al(3)Sm6Ni6 cuboctahedra, faces with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.72 Å) Al(1)-Al(2) bond lengths. In the second Al site, Al(2) is bonded to two equivalent Sm(2); four Sm(1,1,1,1); two equivalent Ni(2); two equivalent Al(1); and two equivalent Al(2) atoms to form distorted AlSm6Al4Ni2 cuboctahedra that share corners with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, corners with four equivalent Al(3)Sm6Ni6 cuboctahedra, corners with six equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with four equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(1)Sm6Al2Ni4 cuboctahedra, faces with two equivalent Al(3)Sm6Ni6 cuboctahedra, faces with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, and faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra. There is one shorter (2.70 Å) and one longer (2.80 Å) Al(2)-Al(2) bond length. In the third Al site, Al(3) is bonded to two Sm(1,1); four equivalent Sm(2); two equivalent Ni(2); and four equivalent Ni(1) atoms to form distorted AlSm6Ni6 cuboctahedra that share corners with two equivalent Al(1)Sm6Al4Ni2 cuboctahedra, corners with four equivalent Al(3)Sm6Ni6 cuboctahedra, corners with eight equivalent Al(2)Sm6Al4Ni2 cuboctahedra, edges with two equivalent Al(3)Sm6Ni6 cuboctahedra, edges with four equivalent Al(1)Sm6Al4Ni2 cuboctahedra, faces with four equivalent Al(2)Sm6Al4Ni2 cuboctahedra, and faces with eight equivalent Ni(1)Sm6Al2Ni4 cuboctahedra.