Materials Data on SrScBe by Materials Project

Abstract

SrBeSc is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Sc atoms. All Sr–Be bond lengths are 3.01 Å. All Sr–Sc bond lengths are 3.01 Å. Be is bonded to four equivalent Sr atoms to form BeSr4 tetrahedra that share corners with four equivalent ScSr4 tetrahedra, corners with twelve equivalent BeSr4 tetrahedra, and edges with six equivalent ScSr4 tetrahedra. Sc is bonded to four equivalent Sr atoms to form ScSr4 tetrahedra that share corners with four equivalent BeSr4 tetrahedra, corners with twelve equivalent ScSr4 tetrahedra, and edges with six equivalent BeSr4 tetrahedra.