Materials Data on Er(Mg4Al3)4 by Materials Project

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

DOI:https://doi.org/10.17188/1746884· OSTI ID:1746884

Er(Mg4Al3)4 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 3.03–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Er, and six equivalent Al atoms. The Mg–Er bond length is 3.26 Å. All Mg–Al bond lengths are 3.16 Å. Er is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Er–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Er, and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.77 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: 1746884
• Report Number(s): mp-1184190
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Er-Mg
Er(Mg4Al3)4
crystal structure