YbFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Yb–Fe bond lengths are 2.96 Å. Fe is bonded to six equivalent Yb and six equivalent Fe atoms to form a mixture of edge, face, and corner-sharing FeYb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å.
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