Materials Data on Mg16Al12Bi by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1708472· OSTI ID:1708472

Mg16Al12Bi crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, six equivalent Al, and one Bi atom. All Mg–Mg bond lengths are 3.03 Å. All Mg–Al bond lengths are 3.17 Å. The Mg–Bi bond length is 3.20 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.15 Å) and four longer (3.20 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.89–3.15 Å. Al is bonded in a 11-coordinate geometry to seven Mg, three equivalent Al, and one Bi atom. There are one shorter (2.77 Å) and two longer (2.82 Å) Al–Al bond lengths. The Al–Bi bond length is 3.28 Å. Bi is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms.

• 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: 1708472
• Report Number(s): mp-1185650
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Bi-Mg
Mg16Al12Bi
crystal structure