Materials Data on LaMg2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1653172· OSTI ID:1653172

Mg2La crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four Mg and four equivalent La atoms. There are two shorter (3.16 Å) and two longer (3.24 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.42 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent La atoms to form MgLa6Mg6 cuboctahedra that share corners with eighteen equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent MgLa6Mg6 cuboctahedra, faces with two equivalent MgLa6Mg6 cuboctahedra, and faces with six equivalent LaLa3Mg9 cuboctahedra. All Mg–La bond lengths are 3.51 Å. La is bonded to nine Mg and three equivalent La atoms to form LaLa3Mg9 cuboctahedra that share corners with nine equivalent MgLa6Mg6 cuboctahedra, corners with nine equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent LaLa3Mg9 cuboctahedra, faces with three equivalent MgLa6Mg6 cuboctahedra, and faces with five equivalent LaLa3Mg9 cuboctahedra. All La–La bond lengths are 3.51 Å.

• 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: 1653172
• Report Number(s): mp-1094161
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Mg
LaMg2
crystal structure