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Materials Data on CePu4Co3 by Materials Project

Pu4CeCo3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 2-coordinate geometry to one Pu and four equivalent Co atoms. The Pu–Pu bond length is 2.82 Å. There are a spread of Pu–Co bond distances ranging from 2.45–3.17 Å. In the second Pu site, Pu is bonded in a 4-coordinate geometry to one Pu, two equivalent Ce, and six Co atoms. There are one shorter (3.17 Å) and one longer (3.19 Å) Pu–Ce bond lengths. There are a spread of Pu–Co bond distances ranging from 2.64–3.27 Å. Ce is bonded in a 4-coordinate geometry to four equivalent Pu and four equivalent Co atoms. There are two shorter (2.80 Å) and two longer (2.81 Å) Ce–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to four equivalent Pu atoms. In the second Co site, Co is bonded in a 10-coordinate geometry to eight Pu and two equivalent Ce atoms.

36 MATERIALS SCIENCE↗

Materials Data on CePuCo4 by Materials Project

PuCeCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Co atoms. All Pu–Ce bond lengths are 3.01 Å. All Pu–Co bond lengths are 2.88 Å. Ce is bonded in a 12-coordinate geometry to four equivalent Pu and twelve equivalent Co atoms. All Ce–Co bond lengths are 2.88 Å. Co is bonded to three equivalent Pu, three equivalent Ce, and six equivalent Co atoms to form a mixture of edge, corner, and face-sharing CoCe3Pu3Co6 cuboctahedra. There are three shorter (2.42 Å) and three longer (2.49 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗