Materials Data on GdZr by Materials Project

Abstract

GdZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd is bonded to six equivalent Gd and six equivalent Zr atoms to form GdGd6Zr6 cuboctahedra that share corners with eighteen equivalent GdGd6Zr6 cuboctahedra, edges with six equivalent GdGd6Zr6 cuboctahedra, edges with twelve equivalent ZrGd6Zr6 cuboctahedra, faces with eight equivalent GdGd6Zr6 cuboctahedra, and faces with twelve equivalent ZrGd6Zr6 cuboctahedra. All Gd–Gd bond lengths are 3.39 Å. All Gd–Zr bond lengths are 3.35 Å. Zr is bonded to six equivalent Gd and six equivalent Zr atoms to form ZrGd6Zr6 cuboctahedra that share corners with eighteen equivalent ZrGd6Zr6 cuboctahedra, edges with six equivalent ZrGd6Zr6 cuboctahedra, edges with twelve equivalent GdGd6Zr6 cuboctahedra, faces with eight equivalent ZrGd6Zr6 cuboctahedra, and faces with twelve equivalent GdGd6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.39 Å.