Materials Data on CdSnAu by Materials Project

Abstract

AuCdSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Sn atoms. All Au–Cd bond lengths are 2.88 Å. All Au–Sn bond lengths are 2.88 Å. Cd is bonded to four equivalent Au and six equivalent Sn atoms to form distorted CdSn6Au4 tetrahedra that share corners with four equivalent SnCd6Au4 tetrahedra, corners with six equivalent CdSn6Au4 tetrahedra, edges with six equivalent SnCd6Au4 tetrahedra, and faces with twelve equivalent CdSn6Au4 tetrahedra. All Cd–Sn bond lengths are 3.32 Å. Sn is bonded to four equivalent Au and six equivalent Cd atoms to form distorted SnCd6Au4 tetrahedra that share corners with four equivalent CdSn6Au4 tetrahedra, corners with six equivalent SnCd6Au4 tetrahedra, edges with six equivalent CdSn6Au4 tetrahedra, and faces with twelve equivalent SnCd6Au4 tetrahedra.