Tm(NiAl) crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to three equivalent Tm(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 Tm site, Tm(2) is bonded in a 16-coordinate geometry to one Tm(2), three equivalent Tm(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 Tm(2), four equivalent Tm(1), two equivalent Al(1), and four equivalent Al(2) atoms to form NiTm6Al6 cuboctahedra that share corners with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with eight equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, edges with two equivalent Ni(1)Tm6Al6 cuboctahedra, edges with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Tm6Al4Ni2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Tm(1), four equivalent Tm(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form distorted NiTm6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with six equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, faces with two equivalent Ni(1)Tm6Al6 cuboctahedra, faces with two equivalent Al(2)Tm6Al4Ni2 cuboctahedra, faces with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Tm(1), four equivalent Tm(2), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiTm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with eight equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, edges with four equivalent Ni(1)Tm6Al6 cuboctahedra, faces with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Tm6Al2Ni4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Tm(1), three equivalent Tm(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Al(2) atoms to form distorted AlTm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with two equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra, faces with two equivalent Al(1)Tm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(1)Tm6Al6 cuboctahedra, faces with six equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(2)Tm6Al4Ni2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Ni(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlTm6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, corners with six equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(1)Tm6Al6 cuboctahedra, faces with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, and faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra.
Tm(NiAl) crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to three equivalent Tm(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 (3.21 Å) and one longer (3.23 Å) Tm(1)-Tm(2) bond length. The Tm(1)-Ni(3) bond length is 2.90 Å. Both Tm(1)-Ni(1) bond lengths are 3.19 Å. Both Tm(1)-Ni(2) bond lengths are 2.90 Å. There are two shorter (3.09 Å) and one longer (3.12 Å) Tm(1)-Al(1) bond length. There are two shorter (3.15 Å) and two longer (3.18 Å) Tm(1)-Al(2) bond lengths. In the second Tm site, Tm(2) is bonded in a 16-coordinate geometry to one Tm(2), three equivalent Tm(1), one Ni(1), two equivalent Ni(3), four equivalent Ni(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Tm(2)-Tm(2) bond length is 2.97 Å. The Tm(2)-Ni(1) bond length is 3.11 Å. Both Tm(2)-Ni(3) bond lengths are 3.06 Å. There are two shorter (3.01 Å) and two longer (3.05 Å) Tm(2)-Ni(2) bond lengths. Both Tm(2)-Al(2) bond lengths are 3.12 Å. There is one shorter (3.01 Å) and two longer (3.15 Å) Tm(2)-Al(1) bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Al(1), and four equivalent Al(2) atoms to form NiTm6Al6 cuboctahedra that share corners with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with eight equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, edges with two equivalent Ni(1)Tm6Al6 cuboctahedra, edges with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra, and faces with eight equivalent Al(2)Tm6Al4Ni2 cuboctahedra. Both Ni(1)-Al(1) bond lengths are 2.67 Å. There are two shorter (2.60 Å) and two longer (2.68 Å) Ni(1)-Al(2) bond lengths. In the second Ni site, Ni(2) is bonded to two equivalent Tm(1), four equivalent Tm(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Al(1) atoms to form distorted NiTm6Al2Ni4 cuboctahedra that share corners with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with six equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, edges with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, faces with two equivalent Ni(1)Tm6Al6 cuboctahedra, faces with two equivalent Al(2)Tm6Al4Ni2 cuboctahedra, faces with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra. There is one shorter (2.62 Å) and one longer (2.73 Å) Ni(2)-Ni(2) bond length. There is one shorter (2.61 Å) and one longer (2.67 Å) Ni(2)-Ni(3) bond length. Both Ni(2)-Al(1) bond lengths are 2.52 Å. In the third Ni site, Ni(3) is bonded to two equivalent Tm(1), four equivalent Tm(2), four equivalent Ni(2), and two equivalent Al(1) atoms to form distorted NiTm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with eight equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, edges with four equivalent Ni(1)Tm6Al6 cuboctahedra, faces with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Tm6Al2Ni4 cuboctahedra. Both Ni(3)-Al(1) bond lengths are 2.53 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Tm(1), three equivalent Tm(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Al(2) atoms to form distorted AlTm6Al2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with two equivalent Ni(1)Tm6Al6 cuboctahedra, corners with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra, faces with two equivalent Al(1)Tm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, faces with three equivalent Ni(1)Tm6Al6 cuboctahedra, faces with six equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, and faces with six equivalent Al(2)Tm6Al4Ni2 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.73 Å. In the second Al site, Al(2) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Ni(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlTm6Al4Ni2 cuboctahedra that share corners with four equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Ni4 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, corners with six equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, edges with two equivalent Al(2)Tm6Al4Ni2 cuboctahedra, edges with four equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(2)Tm6Al2Ni4 cuboctahedra, faces with two equivalent Ni(3)Tm6Al2Ni4 cuboctahedra, faces with four equivalent Ni(1)Tm6Al6 cuboctahedra, faces with four equivalent Al(2)Tm6Al4Ni2 cuboctahedra, and faces with six equivalent Al(1)Tm6Al2Ni4 cuboctahedra. There is one shorter (2.63 Å) and one longer (2.72 Å) Al(2)-Al(2) bond length.