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Materials Data on PuFe2 by Materials Project

PuFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Pu–Fe bond lengths are 2.82 Å. Fe is bonded to six equivalent Pu and six equivalent Fe atoms to form a mixture of edge, face, and corner-sharing FePu6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.41 Å.

36 MATERIALS SCIENCE↗

Materials Data on Pu6Fe by Materials Project

Pu6Fe crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a distorted T-shaped geometry to three Pu atoms. There are two shorter (2.66 Å) and one longer (2.83 Å) Pu–Pu bond lengths. In the second Pu site, Pu is bonded in a distorted rectangular see-saw-like geometry to two Pu and two equivalent Fe atoms. The Pu–Pu bond length is 2.72 Å. Both Pu–Fe bond lengths are 2.81 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Pu atoms.

36 MATERIALS SCIENCE↗