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DOE OSTI2020

Materials Data on PuH3 by Materials Project

PuH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Pu–H bond distances ranging from 2.15–2.39 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pu3+ atoms to form a mixture of corner, edge, and face-sharing HPu4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Pu3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PuH2 by Materials Project

PuH2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Pu–H bond lengths are 2.32 Å. H is bonded to four equivalent Pu atoms to form a mixture of edge and corner-sharing HPu4 tetrahedra.

36 MATERIALS SCIENCE↗