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DOE OSTI · 1679521

Materials Data on PrYFe4 by Materials Project

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Abstract

PrYFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Pr–Y bond lengths are 3.21 Å. All Pr–Fe bond lengths are 3.07 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.07 Å. Fe is bonded to three equivalent Pr, three equivalent Y, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FePr3Y3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å.

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36 MATERIALS SCIENCEcrystal structureFe-Pr-YPrYFe4

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2020-06-05. Materials Data on PrYFe4 by Materials Project. https://doi.org/10.17188/1679521

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