Materials Data on La2Mg by Materials Project

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

DOI:https://doi.org/10.17188/1680911· OSTI ID:1680911

La2Mg is beta-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent La atoms to form distorted MgLa10Mg2 cuboctahedra that share corners with eighteen equivalent LaLa7Mg5 cuboctahedra, edges with eight equivalent LaLa7Mg5 cuboctahedra, edges with ten equivalent MgLa10Mg2 cuboctahedra, faces with six equivalent MgLa10Mg2 cuboctahedra, and faces with fourteen equivalent LaLa7Mg5 cuboctahedra. Both Mg–Mg bond lengths are 3.46 Å. There are a spread of Mg–La bond distances ranging from 3.46–3.78 Å. La is bonded to five equivalent Mg and seven equivalent La atoms to form distorted LaLa7Mg5 cuboctahedra that share corners with nine equivalent MgLa10Mg2 cuboctahedra, corners with nine equivalent LaLa7Mg5 cuboctahedra, edges with four equivalent MgLa10Mg2 cuboctahedra, edges with fourteen equivalent LaLa7Mg5 cuboctahedra, faces with seven equivalent MgLa10Mg2 cuboctahedra, and faces with thirteen equivalent LaLa7Mg5 cuboctahedra. There are a spread of La–La bond distances ranging from 3.35–3.77 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: 1680911
• Report Number(s): mp-1094195
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Mg
La2Mg
crystal structure