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Materials Data on HfZrFe2 by Materials Project

HfZrFe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Hf–Fe bond lengths are 2.74 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Zr–Fe bond lengths are 2.74 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Zr atoms.

36 MATERIALS SCIENCE↗

Materials Data on HfZrFe4 by Materials Project

HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Hf–Zr bond lengths are 3.04 Å. All Hf–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Hf, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗