Materials Data on ZrBeCd by Materials Project

Abstract

BeZrCd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to four equivalent Zr atoms to form BeZr4 tetrahedra that share corners with four equivalent CdZr4 tetrahedra, corners with twelve equivalent BeZr4 tetrahedra, and edges with six equivalent CdZr4 tetrahedra. All Be–Zr bond lengths are 2.78 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Cd atoms. All Zr–Cd bond lengths are 2.78 Å. Cd is bonded to four equivalent Zr atoms to form CdZr4 tetrahedra that share corners with four equivalent BeZr4 tetrahedra, corners with twelve equivalent CdZr4 tetrahedra, and edges with six equivalent BeZr4 tetrahedra.