Materials Data on Zr3Ge by Materials Project

Abstract

Zr3Ge is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Ge atoms to form distorted ZrZr8Ge4 cuboctahedra that share corners with four equivalent GeZr12 cuboctahedra, corners with fourteen equivalent ZrZr8Ge4 cuboctahedra, edges with six equivalent GeZr12 cuboctahedra, edges with twelve equivalent ZrZr8Ge4 cuboctahedra, faces with four equivalent GeZr12 cuboctahedra, and faces with sixteen equivalent ZrZr8Ge4 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.00–3.14 Å. There are two shorter (3.06 Å) and two longer (3.07 Å) Zr–Ge bond lengths. Ge is bonded to twelve equivalent Zr atoms to form GeZr12 cuboctahedra that share corners with six equivalent GeZr12 cuboctahedra, corners with twelve equivalent ZrZr8Ge4 cuboctahedra, edges with eighteen equivalent ZrZr8Ge4 cuboctahedra, faces with eight equivalent GeZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Ge4 cuboctahedra.