Materials Data on EuAl by Materials Project

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

DOI:https://doi.org/10.17188/1676591· OSTI ID:1676591

EuAl crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a 4-coordinate geometry to five Eu and eight Al atoms. There are a spread of Eu–Eu bond distances ranging from 3.43–3.66 Å. There are a spread of Eu–Al bond distances ranging from 3.26–3.48 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to two equivalent Eu and six Al atoms. There are a spread of Eu–Al bond distances ranging from 3.21–3.40 Å. In the third Eu site, Eu is bonded in a 10-coordinate geometry to eight Al atoms. There are a spread of Eu–Al bond distances ranging from 3.45–3.55 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to seven Eu and five Al atoms to form a mixture of corner, edge, and face-sharing AlEu7Al5 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.99 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to seven Eu and three Al atoms. The Al–Al bond length is 2.71 Å. In the third Al site, Al is bonded in a distorted q6 geometry to eight Eu and two 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: 1676591
• Report Number(s): mp-1189619
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Eu
EuAl
crystal structure