Materials Data on CdSbAu by Materials Project

Abstract

AuCdSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au1+ is bonded in a body-centered cubic geometry to four equivalent Cd2+ and four equivalent Sb3- atoms. All Au–Cd bond lengths are 2.89 Å. All Au–Sb bond lengths are 2.89 Å. Cd2+ is bonded to four equivalent Au1+ and six equivalent Sb3- atoms to form distorted CdSb6Au4 tetrahedra that share corners with four equivalent SbCd6Au4 tetrahedra, corners with six equivalent CdSb6Au4 tetrahedra, edges with six equivalent SbCd6Au4 tetrahedra, and faces with twelve equivalent CdSb6Au4 tetrahedra. All Cd–Sb bond lengths are 3.34 Å. Sb3- is bonded to four equivalent Au1+ and six equivalent Cd2+ atoms to form distorted SbCd6Au4 tetrahedra that share corners with four equivalent CdSb6Au4 tetrahedra, corners with six equivalent SbCd6Au4 tetrahedra, edges with six equivalent CdSb6Au4 tetrahedra, and faces with twelve equivalent SbCd6Au4 tetrahedra.