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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li3Pu by Materials Project

Li3Pu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pu atoms. All Li–Li bond lengths are 3.11 Å. All Li–Pu bond lengths are 3.11 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pu atoms. All Li–Pu bond lengths are 3.59 Å. Pu is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Pu by Materials Project

Li3Pu crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Pu atoms. All Li–Li bond lengths are 3.11 Å. All Li–Pu bond lengths are 3.30 Å. In the second Li site, Li is bonded in a square co-planar geometry to four equivalent Pu atoms. All Li–Pu bond lengths are 3.11 Å. Pu is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing PuLi12 cuboctahedra.

36 MATERIALS SCIENCE↗