Materials Data on HfZr by Materials Project

Abstract

HfZr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Hf is bonded to six equivalent Hf and six equivalent Zr atoms to form HfHf6Zr6 cuboctahedra that share corners with eighteen equivalent HfHf6Zr6 cuboctahedra, edges with six equivalent HfHf6Zr6 cuboctahedra, edges with twelve equivalent ZrHf6Zr6 cuboctahedra, faces with eight equivalent HfHf6Zr6 cuboctahedra, and faces with twelve equivalent ZrHf6Zr6 cuboctahedra. All Hf–Hf bond lengths are 3.22 Å. All Hf–Zr bond lengths are 3.17 Å. Zr is bonded to six equivalent Hf and six equivalent Zr atoms to form ZrHf6Zr6 cuboctahedra that share corners with eighteen equivalent ZrHf6Zr6 cuboctahedra, edges with six equivalent ZrHf6Zr6 cuboctahedra, edges with twelve equivalent HfHf6Zr6 cuboctahedra, faces with eight equivalent ZrHf6Zr6 cuboctahedra, and faces with twelve equivalent HfHf6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.22 Å.