Materials Data on SmYFe4 by Materials Project
SmYFe4 is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sm–Y bond lengths are 3.20 Å. All Sm–Fe bond lengths are 3.06 Å. Y is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.06 Å. Fe is bonded to three equivalent Sm, three equivalent Y, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeSm3Y3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.61 Å.
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