Materials Data on Zr3Ge by Materials Project

Abstract

Zr3Ge crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Ge atoms. There are one shorter (2.83 Å) and one longer (2.88 Å) Zr–Ge bond lengths. In the second Zr site, Zr is bonded in a distorted see-saw-like geometry to four equivalent Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.80–2.88 Å. In the third Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.79–2.94 Å. Ge is bonded in a 9-coordinate geometry to nine Zr atoms.