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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgBe2B by Materials Project

MgBe2B crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Be and four equivalent B atoms. All Mg–Be bond lengths are 2.36 Å. All Mg–B bond lengths are 2.36 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Be atoms. All Be–Be bond lengths are 2.36 Å. In the second Be site, Be is bonded to four equivalent Be and four equivalent B atoms to form distorted edge-sharing BeBe4B4 tetrahedra. All Be–B bond lengths are 2.36 Å. B is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBeB by Materials Project

MgBeB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent Be and four equivalent B atoms to form distorted MgBe6B4 tetrahedra that share corners with four equivalent BeMg6B4 tetrahedra, corners with six equivalent MgBe6B4 tetrahedra, edges with six equivalent BeMg6B4 tetrahedra, and faces with twelve equivalent MgBe6B4 tetrahedra. All Mg–Be bond lengths are 2.62 Å. All Mg–B bond lengths are 2.26 Å. Be is bonded to six equivalent Mg and four equivalent B atoms to form distorted BeMg6B4 tetrahedra that share corners with four equivalent MgBe6B4 tetrahedra, corners with six equivalent BeMg6B4 tetrahedra, edges with six equivalent MgBe6B4 tetrahedra, and faces with twelve equivalent BeMg6B4 tetrahedra. All Be–B bond lengths are 2.26 Å. B is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Be atoms.

36 MATERIALS SCIENCE↗