Materials Data on Mg16Al12In by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1682860· OSTI ID:1682860

Mg16InAl12 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 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.18 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one In, and six equivalent Al atoms. The Mg–In bond length is 3.16 Å. All Mg–Al bond lengths are 3.13 Å. In is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All In–Al bond lengths are 3.25 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one In, and three equivalent Al atoms. There are one shorter (2.74 Å) and two longer (2.79 Å) Al–Al bond lengths.

• 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: 1682860
• Report Number(s): mp-1185685
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-In-Mg
Mg16Al12In
crystal structure