MgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Zn(1,1) atoms to form MgZn12 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra; corners with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; faces with eight equivalent Mg(1)Zn12 cuboctahedra; and faces with twelve Zn(1,1)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve Zn(1,1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra.
MgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Zn(1,1) atoms to form MgZn12 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra; corners with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; faces with eight equivalent Mg(1)Zn12 cuboctahedra; and faces with twelve Zn(1,1)Mg4Zn8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.87 Å) Mg(1)-Zn(1,1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve Zn(1,1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra. There are a spread of Zn(1)-Zn(1,1) bond distances ranging from 2.70-2.98 Å. In the second Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra.