Materials Data on ScNb by Materials Project

Abstract

ScNb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sc is bonded to six equivalent Sc and six equivalent Nb atoms to form ScSc6Nb6 cuboctahedra that share corners with eighteen equivalent ScSc6Nb6 cuboctahedra, edges with six equivalent ScSc6Nb6 cuboctahedra, edges with twelve equivalent NbSc6Nb6 cuboctahedra, faces with eight equivalent ScSc6Nb6 cuboctahedra, and faces with twelve equivalent NbSc6Nb6 cuboctahedra. All Sc–Sc bond lengths are 3.07 Å. All Sc–Nb bond lengths are 3.09 Å. Nb is bonded to six equivalent Sc and six equivalent Nb atoms to form NbSc6Nb6 cuboctahedra that share corners with eighteen equivalent NbSc6Nb6 cuboctahedra, edges with six equivalent NbSc6Nb6 cuboctahedra, edges with twelve equivalent ScSc6Nb6 cuboctahedra, faces with eight equivalent NbSc6Nb6 cuboctahedra, and faces with twelve equivalent ScSc6Nb6 cuboctahedra. All Nb–Nb bond lengths are 3.07 Å.