MgZn5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and four equivalent Zn(2) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(4)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(4)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(1)Zn12 cuboctahedra, faces with two equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(3)Mg2Zn10 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(5) atoms to form ZnZn12 cuboctahedra that share corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Zn12 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with four equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Zn12 cuboctahedra, and faces with six equivalent Zn(4)Mg2Zn10 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(5) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Zn12 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(1)Zn12 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(5)Mg2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(4) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Zn12 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with three equivalent Zn(1)Zn12 cuboctahedra, edges with four equivalent Zn(4)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with four equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg2Zn10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra. In the fourth Zn site, Zn(4) is bonded to two equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(5), and four equivalent Zn(3) atoms to form ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(4)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg2Zn10 cuboctahedra, and faces with six equivalent Zn(1)Zn12 cuboctahedra. In the fifth Zn site, Zn(5) is bonded to two equivalent Mg(1), two equivalent Zn(2), two equivalent Zn(4), two equivalent Zn(5), and four equivalent Zn(1) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(4)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(4)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Zn12 cuboctahedra, edges with eight equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Zn12 cuboctahedra, and faces with six equivalent Zn(2)Mg4Zn8 cuboctahedra.
MgZn5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and four equivalent Zn(2) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(4)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(4)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(1)Zn12 cuboctahedra, faces with two equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(3)Mg2Zn10 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 2.83 Å. Both Mg(1)-Zn(3) bond lengths are 2.78 Å. Both Mg(1)-Zn(4) bond lengths are 2.85 Å. Both Mg(1)-Zn(5) bond lengths are 2.81 Å. All Mg(1)-Zn(2) bond lengths are 2.79 Å. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(5) atoms to form ZnZn12 cuboctahedra that share corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Zn12 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with four equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Zn12 cuboctahedra, and faces with six equivalent Zn(4)Mg2Zn10 cuboctahedra. Both Zn(1)-Zn(1) bond lengths are 2.83 Å. Both Zn(1)-Zn(2) bond lengths are 2.72 Å. Both Zn(1)-Zn(3) bond lengths are 2.74 Å. Both Zn(1)-Zn(4) bond lengths are 2.71 Å. All Zn(1)-Zn(5) bond lengths are 2.76 Å. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(5) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Zn12 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(1)Zn12 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(5)Mg2Zn10 cuboctahedra. Both Zn(2)-Zn(2) bond lengths are 2.83 Å. Both Zn(2)-Zn(3) bond lengths are 2.88 Å. Both Zn(2)-Zn(5) bond lengths are 2.73 Å. In the third Zn site, Zn(3) is bonded to two equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(4) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Zn12 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with three equivalent Zn(1)Zn12 cuboctahedra, edges with four equivalent Zn(4)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with four equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg2Zn10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra. Both Zn(3)-Zn(3) bond lengths are 2.83 Å. All Zn(3)-Zn(4) bond lengths are 2.78 Å. In the fourth Zn site, Zn(4) is bonded to two equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(4), two equivalent Zn(5), and four equivalent Zn(3) atoms to form ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(4)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg2Zn10 cuboctahedra, and faces with six equivalent Zn(1)Zn12 cuboctahedra. Both Zn(4)-Zn(4) bond lengths are 2.83 Å. Both Zn(4)-Zn(5) bond lengths are 2.68 Å. In the fifth Zn site, Zn(5) is bonded to two equivalent Mg(1), two equivalent Zn(2), two equivalent Zn(4), two equivalent Zn(5), and four equivalent Zn(1) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(4)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(4)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Zn12 cuboctahedra, edges with eight equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Zn12 cuboctahedra, and faces with six equivalent Zn(2)Mg4Zn8 cuboctahedra. Both Zn(5)-Zn(5) bond lengths are 2.83 Å.