Materials Data on YSc by Materials Project

Abstract

YSc crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y is bonded to six equivalent Y and six equivalent Sc atoms to form YY6Sc6 cuboctahedra that share corners with eighteen equivalent YY6Sc6 cuboctahedra, edges with six equivalent YY6Sc6 cuboctahedra, edges with twelve equivalent ScY6Sc6 cuboctahedra, faces with eight equivalent YY6Sc6 cuboctahedra, and faces with twelve equivalent ScY6Sc6 cuboctahedra. All Y–Y bond lengths are 3.48 Å. All Y–Sc bond lengths are 3.40 Å. Sc is bonded to six equivalent Y and six equivalent Sc atoms to form ScY6Sc6 cuboctahedra that share corners with eighteen equivalent ScY6Sc6 cuboctahedra, edges with six equivalent ScY6Sc6 cuboctahedra, edges with twelve equivalent YY6Sc6 cuboctahedra, faces with eight equivalent ScY6Sc6 cuboctahedra, and faces with twelve equivalent YY6Sc6 cuboctahedra. All Sc–Sc bond lengths are 3.48 Å.