Materials Data on Zr3Cu by Materials Project

Abstract

Zr3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Cu atoms to form distorted ZrZr8Cu4 cuboctahedra that share corners with twelve equivalent ZrZr8Cu4 cuboctahedra, edges with eight equivalent CuZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Cu4 cuboctahedra, faces with four equivalent CuZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Cu4 cuboctahedra. All Zr–Zr bond lengths are 3.05 Å. All Zr–Cu bond lengths are 3.05 Å. Cu is bonded to twelve equivalent Zr atoms to form CuZr12 cuboctahedra that share corners with twelve equivalent CuZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Cu4 cuboctahedra, faces with six equivalent CuZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Cu4 cuboctahedra.