Materials Data on NaAl2Sb by Materials Project

Abstract

NaAl2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to six equivalent Al and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing NaAl6Sb6 cuboctahedra. All Na–Al bond lengths are 3.05 Å. All Na–Sb bond lengths are 3.66 Å. Al is bonded in a distorted body-centered cubic geometry to three equivalent Na, one Al, and four equivalent Sb atoms. The Al–Al bond length is 2.75 Å. There are one shorter (2.95 Å) and three longer (3.25 Å) Al–Sb bond lengths. Sb is bonded in a 2-coordinate geometry to six equivalent Na and eight equivalent Al atoms.