MgZn2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Zn(1), two equivalent Zn(4), and four equivalent Zn(3) atoms to form distorted MgZn8 cuboctahedra that share corners with four equivalent Mg(1)Zn8 cuboctahedra, corners with four equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with four equivalent Zn(3)Mg6Zn6 cuboctahedra, corners with six equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(4)Mg4Zn8 cuboctahedra, edges with three equivalent Mg(2)Zn8 cuboctahedra, edges with four equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with six equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Zn8 cuboctahedra, and faces with six equivalent Zn(1)Mg2Zn10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(2) atoms to form distorted MgZn8 cuboctahedra that share corners with four equivalent Mg(2)Zn8 cuboctahedra, corners with four equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with four equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Mg(1)Zn8 cuboctahedra, corners with six equivalent Zn(4)Mg4Zn8 cuboctahedra, edges with three equivalent Mg(1)Zn8 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(2)Zn8 cuboctahedra, and faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) 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 four equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with three equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with four equivalent Mg(2)Zn8 cuboctahedra, edges with four equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(2)Zn8 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg4Zn8 cuboctahedra, and faces with six equivalent Mg(1)Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(4) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn8 cuboctahedra, corners with four equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with six equivalent Mg(1)Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with four equivalent Mg(2)Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(4)Mg4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with four equivalent Mg(1)Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(1)Zn8 cuboctahedra, edges with six equivalent Mg(2)Zn8 cuboctahedra, edges with eight equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(4)Mg4Zn8 cuboctahedra, and faces with four equivalent Zn(3)Mg6Zn6 cuboctahedra. In the fourth Zn site, Zn(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent Mg(1)Zn8 cuboctahedra, corners with six equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(4)Mg4Zn8 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Zn8 cuboctahedra, faces with two equivalent Mg(2)Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(2)Mg4Zn8 cuboctahedra.
MgZn2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Zn(1), two equivalent Zn(4), and four equivalent Zn(3) atoms to form distorted MgZn8 cuboctahedra that share corners with four equivalent Mg(1)Zn8 cuboctahedra, corners with four equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with four equivalent Zn(3)Mg6Zn6 cuboctahedra, corners with six equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(4)Mg4Zn8 cuboctahedra, edges with three equivalent Mg(2)Zn8 cuboctahedra, edges with four equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with six equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Zn8 cuboctahedra, and faces with six equivalent Zn(1)Mg2Zn10 cuboctahedra. Both Mg(1)-Zn(1) bond lengths are 2.86 Å. Both Mg(1)-Zn(4) bond lengths are 2.87 Å. All Mg(1)-Zn(3) bond lengths are 2.91 Å. In the second Mg site, Mg(2) is bonded to two equivalent Zn(3), two equivalent Zn(4), and four equivalent Zn(2) atoms to form distorted MgZn8 cuboctahedra that share corners with four equivalent Mg(2)Zn8 cuboctahedra, corners with four equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with four equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Mg(1)Zn8 cuboctahedra, corners with six equivalent Zn(4)Mg4Zn8 cuboctahedra, edges with three equivalent Mg(1)Zn8 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(2)Zn8 cuboctahedra, and faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra. Both Mg(2)-Zn(3) bond lengths are 2.91 Å. Both Mg(2)-Zn(4) bond lengths are 2.84 Å. All Mg(2)-Zn(2) bond lengths are 2.87 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) 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 four equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with three equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with four equivalent Mg(2)Zn8 cuboctahedra, edges with four equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(2)Zn8 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg4Zn8 cuboctahedra, and faces with six equivalent Mg(1)Zn8 cuboctahedra. Both Zn(1)-Zn(1) bond lengths are 2.97 Å. Both Zn(1)-Zn(2) bond lengths are 2.78 Å. Both Zn(1)-Zn(3) bond lengths are 3.03 Å. All Zn(1)-Zn(4) bond lengths are 2.85 Å. In the second Zn site, Zn(2) is bonded to four equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(4) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn8 cuboctahedra, corners with four equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with six equivalent Mg(1)Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with four equivalent Mg(2)Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(4)Mg4Zn8 cuboctahedra. Both Zn(2)-Zn(2) bond lengths are 2.97 Å. Both Zn(2)-Zn(3) bond lengths are 3.01 Å. Both Zn(2)-Zn(4) bond lengths are 2.80 Å. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with four equivalent Mg(1)Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(1)Zn8 cuboctahedra, edges with six equivalent Mg(2)Zn8 cuboctahedra, edges with eight equivalent Zn(4)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(4)Mg4Zn8 cuboctahedra, and faces with four equivalent Zn(3)Mg6Zn6 cuboctahedra. Both Zn(3)-Zn(3) bond lengths are 2.97 Å. In the fourth Zn site, Zn(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent Mg(1)Zn8 cuboctahedra, corners with six equivalent Mg(2)Zn8 cuboctahedra, corners with six equivalent Zn(4)Mg4Zn8 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Zn8 cuboctahedra, faces with two equivalent Mg(2)Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg6Zn6 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)Mg4Zn8 cuboctahedra, and faces with six equivalent Zn(2)Mg4Zn8 cuboctahedra. Both Zn(4)-Zn(4) bond lengths are 2.97 Å.