Materials Data on Zr3Zn2 by Materials Project

Abstract

Zn2Zr3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted square co-planar geometry to four equivalent Zn atoms. All Zr–Zn bond lengths are 3.08 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Zn atoms. There are two shorter (2.79 Å) and four longer (2.93 Å) Zr–Zn bond lengths. In the third Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Zn atoms. There are two shorter (2.80 Å) and four longer (2.88 Å) Zr–Zn bond lengths. Zn is bonded in a 10-coordinate geometry to eight Zr and two equivalent Zn atoms. There are one shorter (2.61 Å) and one longer (2.72 Å) Zn–Zn bond lengths.