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DOE OSTI2020

Materials Data on Na3Pu by Materials Project

Na3Pu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Pu atoms. All Na–Na bond lengths are 3.63 Å. All Na–Pu bond lengths are 3.63 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Pu atoms. All Na–Pu bond lengths are 4.19 Å. Pu is bonded in a body-centered cubic geometry to fourteen Na atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na3Pu by Materials Project

Na3Pu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a 2-coordinate geometry to six equivalent Na and four equivalent Pu atoms. There are four shorter (3.54 Å) and two longer (3.79 Å) Na–Na bond lengths. There are two shorter (3.64 Å) and two longer (3.93 Å) Na–Pu bond lengths. Pu is bonded to twelve equivalent Na atoms to form a mixture of corner and face-sharing PuNa12 cuboctahedra.

36 MATERIALS SCIENCE↗