Materials Data on PuAlNi by Materials Project

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

DOI:https://doi.org/10.17188/1741414· OSTI ID:1741414

PuNiAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 5-coordinate geometry to five Ni and six Al atoms. There are one shorter (2.77 Å) and four longer (2.81 Å) Pu–Ni bond lengths. There are two shorter (2.97 Å) and four longer (3.16 Å) Pu–Al bond lengths. In the second Pu site, Pu is bonded in a 5-coordinate geometry to five Ni and six Al atoms. There are a spread of Pu–Ni bond distances ranging from 2.79–2.81 Å. There are a spread of Pu–Al bond distances ranging from 2.96–3.18 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Pu and three Al atoms. There are two shorter (2.52 Å) and one longer (2.53 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Pu and six Al atoms. All Ni–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to six Pu, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.66 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to six Pu, four Ni, and two Al atoms. The Al–Al bond length is 2.66 Å.

• 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: 1741414
• Report Number(s): mp-1080177
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ni-Pu
PuAlNi
crystal structure