ScCuZn crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1), three equivalent Sc(2), three equivalent Cu(1), four equivalent Cu(2), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to three equivalent Sc(1), two equivalent Cu(2), three equivalent Cu(1), one Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Sc(1), three equivalent Sc(2), two equivalent Cu(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form CuSc6Zn4Cu2 cuboctahedra that share corners with two equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, corners with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, faces with two equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, faces with three equivalent Zn(1)Sc6Cu6 cuboctahedra, faces with three equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, faces with six equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, and faces with six equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra. In the second Cu site, Cu(2) is bonded to two equivalent Sc(2), four equivalent Sc(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Zn(1) atoms to form distorted CuSc6Zn2Cu4 cuboctahedra that share corners with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with six equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with two equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, edges with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with two equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, faces with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with four equivalent Zn(1)Sc6Cu6 cuboctahedra, and faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Sc(2), four equivalent Sc(1), two equivalent Cu(1), and four equivalent Cu(2) atoms to form ZnSc6Cu6 cuboctahedra that share corners with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with eight equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with two equivalent Zn(1)Sc6Cu6 cuboctahedra, edges with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, faces with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Sc(1), four equivalent Sc(2), two equivalent Cu(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted ZnSc6Zn4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, corners with six equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, edges with two equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with two equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with two equivalent Zn(1)Sc6Cu6 cuboctahedra, faces with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, and faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Sc(1), four equivalent Sc(2), two equivalent Cu(1), and four equivalent Zn(2) atoms to form ZnSc6Zn4Cu2 cuboctahedra that share corners with two equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with eight equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, edges with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, edges with four equivalent Zn(1)Sc6Cu6 cuboctahedra, faces with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, and faces with eight equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra.
ScCuZn crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 16-coordinate geometry to one Sc(1), three equivalent Sc(2), three equivalent Cu(1), four equivalent Cu(2), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. The Sc(1)-Sc(1) bond length is 3.10 Å. There is one shorter (3.08 Å) and two longer (3.12 Å) Sc(1)-Sc(2) bond lengths. There is one shorter (2.98 Å) and two longer (3.02 Å) Sc(1)-Cu(1) bond lengths. There are two shorter (2.97 Å) and two longer (3.00 Å) Sc(1)-Cu(2) bond lengths. The Sc(1)-Zn(3) bond length is 2.98 Å. Both Sc(1)-Zn(1) bond lengths are 3.00 Å. Both Sc(1)-Zn(2) bond lengths are 2.99 Å. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to three equivalent Sc(1), two equivalent Cu(2), three equivalent Cu(1), one Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms. Both Sc(2)-Cu(2) bond lengths are 2.89 Å. All Sc(2)-Cu(1) bond lengths are 2.99 Å. The Sc(2)-Zn(1) bond length is 2.91 Å. Both Sc(2)-Zn(3) bond lengths are 3.06 Å. There are two shorter (3.04 Å) and two longer (3.06 Å) Sc(2)-Zn(2) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Sc(1), three equivalent Sc(2), two equivalent Cu(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form CuSc6Zn4Cu2 cuboctahedra that share corners with two equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, corners with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, faces with two equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, faces with three equivalent Zn(1)Sc6Cu6 cuboctahedra, faces with three equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, faces with six equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, and faces with six equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra. Both Cu(1)-Cu(2) bond lengths are 2.56 Å. The Cu(1)-Zn(1) bond length is 2.54 Å. The Cu(1)-Zn(3) bond length is 2.56 Å. Both Cu(1)-Zn(2) bond lengths are 2.57 Å. In the second Cu site, Cu(2) is bonded to two equivalent Sc(2), four equivalent Sc(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Zn(1) atoms to form distorted CuSc6Zn2Cu4 cuboctahedra that share corners with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with six equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with two equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, edges with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with two equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, faces with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with four equivalent Zn(1)Sc6Cu6 cuboctahedra, and faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra. There is one shorter (2.56 Å) and one longer (2.59 Å) Cu(2)-Cu(2) bond length. There is one shorter (2.55 Å) and one longer (2.56 Å) Cu(2)-Zn(1) bond length. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Sc(2), four equivalent Sc(1), two equivalent Cu(1), and four equivalent Cu(2) atoms to form ZnSc6Cu6 cuboctahedra that share corners with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with eight equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with two equivalent Zn(1)Sc6Cu6 cuboctahedra, edges with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, faces with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Sc(1), four equivalent Sc(2), two equivalent Cu(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted ZnSc6Zn4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, corners with six equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, edges with two equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, edges with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with two equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with two equivalent Zn(1)Sc6Cu6 cuboctahedra, faces with four equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra, faces with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, and faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra. There is one shorter (2.54 Å) and one longer (2.61 Å) Zn(2)-Zn(2) bond length. There is one shorter (2.52 Å) and one longer (2.59 Å) Zn(2)-Zn(3) bond length. In the third Zn site, Zn(3) is bonded to two equivalent Sc(1), four equivalent Sc(2), two equivalent Cu(1), and four equivalent Zn(2) atoms to form ZnSc6Zn4Cu2 cuboctahedra that share corners with two equivalent Zn(1)Sc6Cu6 cuboctahedra, corners with four equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, corners with four equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, corners with eight equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, edges with two equivalent Zn(3)Sc6Zn4Cu2 cuboctahedra, edges with four equivalent Zn(1)Sc6Cu6 cuboctahedra, faces with four equivalent Cu(2)Sc6Zn2Cu4 cuboctahedra, faces with six equivalent Cu(1)Sc6Zn4Cu2 cuboctahedra, and faces with eight equivalent Zn(2)Sc6Zn4Cu2 cuboctahedra.