Materials Data on HfSc by Materials Project

Abstract

ScHf crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sc is bonded to six equivalent Sc and six equivalent Hf atoms to form ScHf6Sc6 cuboctahedra that share corners with eighteen equivalent ScHf6Sc6 cuboctahedra, edges with six equivalent ScHf6Sc6 cuboctahedra, edges with twelve equivalent HfHf6Sc6 cuboctahedra, faces with eight equivalent ScHf6Sc6 cuboctahedra, and faces with twelve equivalent HfHf6Sc6 cuboctahedra. All Sc–Sc bond lengths are 3.24 Å. All Sc–Hf bond lengths are 3.17 Å. Hf is bonded to six equivalent Sc and six equivalent Hf atoms to form HfHf6Sc6 cuboctahedra that share corners with eighteen equivalent HfHf6Sc6 cuboctahedra, edges with six equivalent HfHf6Sc6 cuboctahedra, edges with twelve equivalent ScHf6Sc6 cuboctahedra, faces with eight equivalent HfHf6Sc6 cuboctahedra, and faces with twelve equivalent ScHf6Sc6 cuboctahedra. All Hf–Hf bond lengths are 3.24 Å.