ZrOsAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Zr(2), one Os(3), two equivalent Os(1), two equivalent Os(2), three equivalent Al(1), 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 Os(1), two equivalent Os(3), four equivalent Os(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Os sites. In the first Os site, Os(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 OsZr6Al6 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, corners with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(1)Zr6Al6 cuboctahedra, edges with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. In the second Os site, Os(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Os(2), two equivalent Os(3), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with two equivalent Os(1)Zr6Al6 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. In the third Os site, Os(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Os(2), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, edges with four equivalent Os(1)Zr6Al6 cuboctahedra, faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, and faces with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Os(1), one Os(3), two equivalent Os(2), and two equivalent Al(2) atoms to form distorted AlZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with two equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(1)Zr6Al6 cuboctahedra, and faces with six equivalent Os(2)Zr6Al2Os4 cuboctahedra. 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 Os(1), two equivalent Al(1), and two equivalent Al(2) atoms.
ZrOsAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 12-coordinate geometry to three equivalent Zr(2), one Os(3), two equivalent Os(1), two equivalent Os(2), three equivalent Al(1), and four equivalent Al(2) atoms. There are two shorter (3.22 Å) and one longer (3.25 Å) Zr(1)-Zr(2) bond length. The Zr(1)-Os(3) bond length is 2.96 Å. Both Zr(1)-Os(1) bond lengths are 3.17 Å. Both Zr(1)-Os(2) bond lengths are 2.93 Å. There are two shorter (3.08 Å) and one longer (3.14 Å) Zr(1)-Al(1) bond length. There are two shorter (3.14 Å) and two longer (3.16 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 Os(1), two equivalent Os(3), four equivalent Os(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Zr(2)-Zr(2) bond length is 3.03 Å. The Zr(2)-Os(1) bond length is 3.06 Å. Both Zr(2)-Os(3) bond lengths are 3.08 Å. There are two shorter (3.00 Å) and two longer (3.11 Å) Zr(2)-Os(2) bond lengths. Both Zr(2)-Al(2) bond lengths are 3.10 Å. There is one shorter (3.00 Å) and two longer (3.19 Å) Zr(2)-Al(1) bond lengths. There are three inequivalent Os sites. In the first Os site, Os(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 OsZr6Al6 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, corners with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(1)Zr6Al6 cuboctahedra, edges with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. Both Os(1)-Al(1) bond lengths are 2.59 Å. There are two shorter (2.58 Å) and two longer (2.71 Å) Os(1)-Al(2) bond lengths. In the second Os site, Os(2) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent Os(2), two equivalent Os(3), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, corners with four equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with two equivalent Os(1)Zr6Al6 cuboctahedra, faces with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, faces with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, and faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra. There is one shorter (2.64 Å) and one longer (2.72 Å) Os(2)-Os(2) bond length. There is one shorter (2.64 Å) and one longer (2.66 Å) Os(2)-Os(3) bond length. Both Os(2)-Al(1) bond lengths are 2.61 Å. In the third Os site, Os(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), four equivalent Os(2), and two equivalent Al(1) atoms to form distorted OsZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with four equivalent Al(1)Zr6Al2Os4 cuboctahedra, edges with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, edges with four equivalent Os(1)Zr6Al6 cuboctahedra, faces with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, and faces with eight equivalent Os(2)Zr6Al2Os4 cuboctahedra. Both Os(3)-Al(1) bond lengths are 2.61 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Zr(1), three equivalent Zr(2), one Os(1), one Os(3), two equivalent Os(2), and two equivalent Al(2) atoms to form distorted AlZr6Al2Os4 cuboctahedra that share corners with two equivalent Os(3)Zr6Al2Os4 cuboctahedra, corners with two equivalent Os(1)Zr6Al6 cuboctahedra, corners with four equivalent Os(2)Zr6Al2Os4 cuboctahedra, edges with six equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with two equivalent Al(1)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(3)Zr6Al2Os4 cuboctahedra, faces with three equivalent Os(1)Zr6Al6 cuboctahedra, and faces with six equivalent Os(2)Zr6Al2Os4 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.66 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 Os(1), two equivalent Al(1), and two equivalent Al(2) atoms. There is one shorter (2.60 Å) and one longer (2.76 Å) Al(2)-Al(2) bond length.