Materials Data on MnSnAu by Materials Project

Abstract

AuMnSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Au and six equivalent Sn atoms to form distorted MnSn6Au4 tetrahedra that share corners with four equivalent SnMn6Au4 tetrahedra, corners with six equivalent MnSn6Au4 tetrahedra, edges with six equivalent SnMn6Au4 tetrahedra, and faces with twelve equivalent MnSn6Au4 tetrahedra. All Mn–Au bond lengths are 2.76 Å. All Mn–Sn bond lengths are 3.19 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Au–Sn bond lengths are 2.76 Å. Sn is bonded to six equivalent Mn and four equivalent Au atoms to form distorted SnMn6Au4 tetrahedra that share corners with four equivalent MnSn6Au4 tetrahedra, corners with six equivalent SnMn6Au4 tetrahedra, edges with six equivalent MnSn6Au4 tetrahedra, and faces with twelve equivalent SnMn6Au4 tetrahedra.