Materials Data on CeMg6Ni by Materials Project

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

DOI:https://doi.org/10.17188/1749672· OSTI ID:1749672

Mg6CeNi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to eight Mg, two equivalent Ce, and one Ni atom. There are a spread of Mg–Mg bond distances ranging from 2.90–3.35 Å. Both Mg–Ce bond lengths are 3.28 Å. The Mg–Ni bond length is 3.07 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ni atoms. There are two shorter (3.06 Å) and four longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Ni bond lengths are 3.15 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, two equivalent Ce, and two equivalent Ni atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.21 Å. There are one shorter (3.10 Å) and one longer (3.53 Å) Mg–Ce bond lengths. Both Mg–Ni bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Ce atoms. Both Mg–Ce bond lengths are 3.17 Å. Ce is bonded in a 2-coordinate geometry to ten Mg and two equivalent Ni atoms. Both Ce–Ni bond lengths are 2.92 Å. Ni is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ce 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: 1749672
• Report Number(s): mp-1099328
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Mg-Ni
CeMg6Ni
crystal structure