Materials Data on Zn2Ag by Materials Project

Abstract

AgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded in a 12-coordinate geometry to four equivalent Ag and twelve Zn atoms. There are three shorter (3.13 Å) and one longer (3.15 Å) Ag–Ag bond lengths. There are three shorter (2.98 Å) and nine longer (3.00 Å) Ag–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ag and six equivalent Zn atoms to form a mixture of edge, corner, and face-sharing ZnZn6Ag6 cuboctahedra. All Zn–Zn bond lengths are 2.58 Å. In the second Zn site, Zn is bonded to six equivalent Ag and six Zn atoms to form a mixture of edge, corner, and face-sharing ZnZn6Ag6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.61 Å) Zn–Zn bond lengths.