CaZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a 12-coordinate geometry to three equivalent Zn(1) and nine equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Ca(1) and six equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Ca(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra.
CaZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a 12-coordinate geometry to three equivalent Zn(1) and nine equivalent Zn(2) atoms. All Ca(1)-Zn(1) bond lengths are 3.27 Å. There are three shorter (3.13 Å) and six longer (3.25 Å) Ca(1)-Zn(2) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Ca(1) and six equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. All Zn(1)-Zn(2) bond lengths are 2.70 Å. In the second Zn site, Zn(2) is bonded to six equivalent Ca(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.81 Å) Zn(2)-Zn(2) bond lengths.