Materials Data on CaHfBe by Materials Project
CaBeHf is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded to four equivalent Be and six equivalent Hf atoms to form a mixture of distorted corner and face-sharing CaHf6Be4 tetrahedra. All Ca–Be bond lengths are 2.83 Å. All Ca–Hf bond lengths are 3.27 Å. Be is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Hf atoms. All Be–Hf bond lengths are 2.83 Å. Hf is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Be atoms.
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