Materials Data on AlInB by Materials Project

Abstract

InAlB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. In is bonded to four equivalent Al atoms to form InAl4 tetrahedra that share corners with four equivalent BAl4 tetrahedra, corners with twelve equivalent InAl4 tetrahedra, and edges with six equivalent BAl4 tetrahedra. All In–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to four equivalent In and four equivalent B atoms. All Al–B bond lengths are 2.61 Å. B is bonded to four equivalent Al atoms to form BAl4 tetrahedra that share corners with four equivalent InAl4 tetrahedra, corners with twelve equivalent BAl4 tetrahedra, and edges with six equivalent InAl4 tetrahedra.