Materials Data on Lu3Pu by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1757283· OSTI ID:1757283

PuLu3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Lu atoms to form PuLu12 cuboctahedra that share corners with four equivalent PuLu12 cuboctahedra, corners with eight equivalent LuLu8Pu4 cuboctahedra, edges with eight equivalent PuLu12 cuboctahedra, edges with sixteen equivalent LuLu8Pu4 cuboctahedra, faces with four equivalent PuLu12 cuboctahedra, and faces with fourteen LuLu8Pu4 cuboctahedra. There are eight shorter (3.30 Å) and four longer (3.31 Å) Pu–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Pu and eight Lu atoms to form LuLu8Pu4 cuboctahedra that share corners with twelve equivalent LuLu8Pu4 cuboctahedra, edges with eight equivalent PuLu12 cuboctahedra, edges with sixteen LuLu8Pu4 cuboctahedra, faces with four equivalent PuLu12 cuboctahedra, and faces with fourteen LuLu8Pu4 cuboctahedra. There are four shorter (3.30 Å) and four longer (3.31 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to four equivalent Pu and eight equivalent Lu atoms to form LuLu8Pu4 cuboctahedra that share corners with four equivalent LuLu8Pu4 cuboctahedra, corners with eight equivalent PuLu12 cuboctahedra, edges with twenty-four LuLu8Pu4 cuboctahedra, faces with six equivalent PuLu12 cuboctahedra, and faces with twelve LuLu8Pu4 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: 1757283
• Report Number(s): mp-1185611
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Lu-Pu
Lu3Pu
crystal structure