ZrRhAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 3-coordinate geometry to three equivalent Zr(2), one Rh(3), two equivalent Rh(1), two equivalent Rh(2), and four equivalent Al(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one Rh(1), two equivalent Rh(3), four equivalent Rh(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted RhZr6Al6 cuboctahedra that share corners with two equivalent Rh(3)Zr6Al2Rh4 cuboctahedra, corners with four equivalent Rh(1)Zr6Al6 cuboctahedra, edges with two equivalent Rh(1)Zr6Al6 cuboctahedra, and edges with four equivalent Rh(3)Zr6Al2Rh4 cuboctahedra. In the second Rh site, Rh(2) is bonded in a 12-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Al(1) atoms. In the third Rh site, Rh(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Rh(2), and two equivalent Al(1) atoms to form distorted RhZr6Al2Rh4 cuboctahedra that share corners with two equivalent Rh(1)Zr6Al6 cuboctahedra, corners with four equivalent Rh(3)Zr6Al2Rh4 cuboctahedra, edges with two equivalent Rh(3)Zr6Al2Rh4 cuboctahedra, and edges with four equivalent Rh(1)Zr6Al6 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to three equivalent Zr(2), one Rh(1), one Rh(3), two equivalent Rh(2), and two equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Rh(1), two equivalent Al(1), and two equivalent Al(2) atoms.
ZrRhAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 3-coordinate geometry to three equivalent Zr(2), one Rh(3), two equivalent Rh(1), two equivalent Rh(2), and four equivalent Al(2) atoms. There is one shorter (3.22 Å) and two longer (3.23 Å) Zr(1)-Zr(2) bond lengths. The Zr(1)-Rh(3) bond length is 2.86 Å. Both Zr(1)-Rh(1) bond lengths are 3.20 Å. Both Zr(1)-Rh(2) bond lengths are 2.85 Å. There are two shorter (3.17 Å) and two longer (3.19 Å) Zr(1)-Al(2) bond lengths. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one Rh(1), two equivalent Rh(3), four equivalent Rh(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Zr(2)-Zr(2) bond length is 2.96 Å. The Zr(2)-Rh(1) bond length is 3.05 Å. Both Zr(2)-Rh(3) bond lengths are 3.07 Å. There are two shorter (3.03 Å) and two longer (3.07 Å) Zr(2)-Rh(2) bond lengths. Both Zr(2)-Al(2) bond lengths are 3.06 Å. There is one shorter (3.05 Å) and two longer (3.18 Å) Zr(2)-Al(1) bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), two equivalent Al(1), and four equivalent Al(2) atoms to form distorted RhZr6Al6 cuboctahedra that share corners with two equivalent Rh(3)Zr6Al2Rh4 cuboctahedra, corners with four equivalent Rh(1)Zr6Al6 cuboctahedra, edges with two equivalent Rh(1)Zr6Al6 cuboctahedra, and edges with four equivalent Rh(3)Zr6Al2Rh4 cuboctahedra. Both Rh(1)-Al(1) bond lengths are 2.60 Å. There are two shorter (2.59 Å) and two longer (2.74 Å) Rh(1)-Al(2) bond lengths. In the second Rh site, Rh(2) is bonded in a 12-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Al(1) atoms. There is one shorter (2.66 Å) and one longer (2.73 Å) Rh(2)-Rh(2) bond length. There is one shorter (2.65 Å) and one longer (2.68 Å) Rh(2)-Rh(3) bond length. Both Rh(2)-Al(1) bond lengths are 2.55 Å. In the third Rh site, Rh(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Rh(2), and two equivalent Al(1) atoms to form distorted RhZr6Al2Rh4 cuboctahedra that share corners with two equivalent Rh(1)Zr6Al6 cuboctahedra, corners with four equivalent Rh(3)Zr6Al2Rh4 cuboctahedra, edges with two equivalent Rh(3)Zr6Al2Rh4 cuboctahedra, and edges with four equivalent Rh(1)Zr6Al6 cuboctahedra. Both Rh(3)-Al(1) bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to three equivalent Zr(2), one Rh(1), one Rh(3), two equivalent Rh(2), and two equivalent Al(2) atoms. Both Al(1)-Al(2) bond lengths are 2.67 Å. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Rh(1), two equivalent Al(1), and two equivalent Al(2) atoms. There is one shorter (2.61 Å) and one longer (2.78 Å) Al(2)-Al(2) bond length.