Materials Data on Pu3Np by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1743304· OSTI ID:1743304

Pu3Np is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Np atoms to form PuPu8Np4 cuboctahedra that share corners with twelve equivalent PuPu8Np4 cuboctahedra, edges with eight equivalent NpPu12 cuboctahedra, edges with sixteen PuPu8Np4 cuboctahedra, faces with four equivalent NpPu12 cuboctahedra, and faces with fourteen PuPu8Np4 cuboctahedra. There are four shorter (3.18 Å) and four longer (3.20 Å) Pu–Pu bond lengths. All Pu–Np bond lengths are 3.18 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Np atoms to form PuPu8Np4 cuboctahedra that share corners with four equivalent PuPu8Np4 cuboctahedra, corners with eight equivalent NpPu12 cuboctahedra, edges with twenty-four PuPu8Np4 cuboctahedra, faces with six equivalent NpPu12 cuboctahedra, and faces with twelve PuPu8Np4 cuboctahedra. All Pu–Np bond lengths are 3.20 Å. Np is bonded to twelve Pu atoms to form NpPu12 cuboctahedra that share corners with four equivalent NpPu12 cuboctahedra, corners with eight equivalent PuPu8Np4 cuboctahedra, edges with eight equivalent NpPu12 cuboctahedra, edges with sixteen equivalent PuPu8Np4 cuboctahedra, faces with four equivalent NpPu12 cuboctahedra, and faces with fourteen PuPu8Np4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1743304
• Report Number(s): mp-1186856
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Np-Pu
Pu3Np
crystal structure