Materials Data on La2Mg by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1728836· OSTI ID:1728836

La2Mg crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.55–3.59 Å. There are two inequivalent La sites. In the first La site, La is bonded to six equivalent Mg and six La atoms to form LaLa6Mg6 cuboctahedra that share corners with twelve LaLa6Mg6 cuboctahedra, edges with eleven equivalent LaLa8Mg4 cuboctahedra, and faces with fourteen LaLa6Mg6 cuboctahedra. There are a spread of La–La bond distances ranging from 3.54–3.65 Å. In the second La site, La is bonded to four equivalent Mg and eight La atoms to form LaLa8Mg4 cuboctahedra that share corners with twelve LaLa8Mg4 cuboctahedra, edges with fifteen LaLa6Mg6 cuboctahedra, and faces with twelve LaLa8Mg4 cuboctahedra. There are four shorter (3.53 Å) and two longer (3.65 Å) La–La 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: 1728836
• Report Number(s): mp-1094170
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Mg
La2Mg
crystal structure