Materials Data on TmPu3 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1745908· OSTI ID:1745908

Pu3Tm is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with fourteen equivalent PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with fourteen PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. Tm is bonded to twelve Pu atoms to form TmPu12 cuboctahedra that share corners with six equivalent TmPu12 cuboctahedra, corners with twelve PuTm4Pu8 cuboctahedra, edges with eighteen PuTm4Pu8 cuboctahedra, faces with eight equivalent TmPu12 cuboctahedra, and faces with twelve PuTm4Pu8 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: 1745908
• Report Number(s): mp-1187839
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pu-Tm
TmPu3
crystal structure