HfIrAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to three equivalent Hf(2), one Ir(3), two equivalent Ir(1), two equivalent Ir(2), and four equivalent Al(2) atoms. In the second Hf site, Hf(2) is bonded in a 16-coordinate geometry to one Hf(2), three equivalent Hf(1), one Ir(1), two equivalent Ir(3), four equivalent Ir(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent Hf(2), four equivalent Hf(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted IrHf6Al6 cuboctahedra that share corners with two equivalent Ir(3)Hf6Al2Ir4 cuboctahedra, corners with four equivalent Ir(1)Hf6Al6 cuboctahedra, edges with two equivalent Ir(1)Hf6Al6 cuboctahedra, and edges with four equivalent Ir(3)Hf6Al2Ir4 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), two equivalent Ir(2), two equivalent Ir(3), and two equivalent Al(1) atoms. In the third Ir site, Ir(3) is bonded to two equivalent Hf(1), four equivalent Hf(2), four equivalent Ir(2), and two equivalent Al(1) atoms to form distorted IrHf6Al2Ir4 cuboctahedra that share corners with two equivalent Ir(1)Hf6Al6 cuboctahedra, corners with four equivalent Ir(3)Hf6Al2Ir4 cuboctahedra, edges with two equivalent Ir(3)Hf6Al2Ir4 cuboctahedra, and edges with four equivalent Ir(1)Hf6Al6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to three equivalent Hf(2), one Ir(1), one Ir(3), two equivalent Ir(2), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Ir(1), two equivalent Al(1), and two equivalent Al(2) atoms.
HfIrAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to three equivalent Hf(2), one Ir(3), two equivalent Ir(1), two equivalent Ir(2), and four equivalent Al(2) atoms. There are two shorter (3.21 Å) and one longer (3.23 Å) Hf(1)-Hf(2) bond length. The Hf(1)-Ir(3) bond length is 2.84 Å. Both Hf(1)-Ir(1) bond lengths are 3.19 Å. Both Hf(1)-Ir(2) bond lengths are 2.83 Å. There are two shorter (3.16 Å) and two longer (3.18 Å) Hf(1)-Al(2) bond lengths. In the second Hf site, Hf(2) is bonded in a 16-coordinate geometry to one Hf(2), three equivalent Hf(1), one Ir(1), two equivalent Ir(3), four equivalent Ir(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Hf(2)-Hf(2) bond length is 2.94 Å. The Hf(2)-Ir(1) bond length is 3.02 Å. Both Hf(2)-Ir(3) bond lengths are 3.06 Å. There are two shorter (3.01 Å) and two longer (3.07 Å) Hf(2)-Ir(2) bond lengths. Both Hf(2)-Al(2) bond lengths are 3.05 Å. There is one shorter (3.03 Å) and two longer (3.18 Å) Hf(2)-Al(1) bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent Hf(2), four equivalent Hf(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted IrHf6Al6 cuboctahedra that share corners with two equivalent Ir(3)Hf6Al2Ir4 cuboctahedra, corners with four equivalent Ir(1)Hf6Al6 cuboctahedra, edges with two equivalent Ir(1)Hf6Al6 cuboctahedra, and edges with four equivalent Ir(3)Hf6Al2Ir4 cuboctahedra. Both Ir(1)-Al(1) bond lengths are 2.59 Å. There are two shorter (2.58 Å) and two longer (2.74 Å) Ir(1)-Al(2) bond lengths. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to two equivalent Hf(1), four equivalent Hf(2), two equivalent Ir(2), two equivalent Ir(3), and two equivalent Al(1) atoms. There is one shorter (2.64 Å) and one longer (2.72 Å) Ir(2)-Ir(2) bond length. There is one shorter (2.65 Å) and one longer (2.68 Å) Ir(2)-Ir(3) bond length. Both Ir(2)-Al(1) bond lengths are 2.54 Å. In the third Ir site, Ir(3) is bonded to two equivalent Hf(1), four equivalent Hf(2), four equivalent Ir(2), and two equivalent Al(1) atoms to form distorted IrHf6Al2Ir4 cuboctahedra that share corners with two equivalent Ir(1)Hf6Al6 cuboctahedra, corners with four equivalent Ir(3)Hf6Al2Ir4 cuboctahedra, edges with two equivalent Ir(3)Hf6Al2Ir4 cuboctahedra, and edges with four equivalent Ir(1)Hf6Al6 cuboctahedra. Both Ir(3)-Al(1) bond lengths are 2.57 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to three equivalent Hf(2), one Ir(1), one Ir(3), two equivalent Ir(2), and two equivalent Al(2) atoms. Both Al(1)-Al(2) bond lengths are 2.65 Å. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Ir(1), two equivalent Al(1), and two equivalent Al(2) atoms. There is one shorter (2.59 Å) and one longer (2.77 Å) Al(2)-Al(2) bond length.