Materials Data on ErZr by Materials Project

Abstract

ErZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded to six equivalent Er and six equivalent Zr atoms to form ErEr6Zr6 cuboctahedra that share corners with eighteen equivalent ErEr6Zr6 cuboctahedra, edges with six equivalent ErEr6Zr6 cuboctahedra, edges with twelve equivalent ZrEr6Zr6 cuboctahedra, faces with eight equivalent ErEr6Zr6 cuboctahedra, and faces with twelve equivalent ZrEr6Zr6 cuboctahedra. All Er–Er bond lengths are 3.40 Å. All Er–Zr bond lengths are 3.31 Å. Zr is bonded to six equivalent Er and six equivalent Zr atoms to form ZrEr6Zr6 cuboctahedra that share corners with eighteen equivalent ZrEr6Zr6 cuboctahedra, edges with six equivalent ZrEr6Zr6 cuboctahedra, edges with twelve equivalent ErEr6Zr6 cuboctahedra, faces with eight equivalent ZrEr6Zr6 cuboctahedra, and faces with twelve equivalent ErEr6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.40 Å.