Materials Data on SrZn2 by Materials Project

SrZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.29–3.47 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Sr and six equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnSr6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.78 Å. In the second Zn site, Zn is bonded to six equivalent Sr and six Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnSr6Zn6 cuboctahedra. There are two shorter (2.80 Å) and two longer (3.14 Å) Zn–Zn bond lengths.