Materials Data on LaMg2 by Materials Project

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

DOI:https://doi.org/10.17188/1745141· OSTI ID:1745141

Mg2La crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent La atoms to form distorted MgLa5Mg7 cuboctahedra that share corners with nine equivalent MgLa5Mg7 cuboctahedra, corners with nine equivalent LaLa2Mg10 cuboctahedra, edges with four equivalent LaLa2Mg10 cuboctahedra, edges with fourteen equivalent MgLa5Mg7 cuboctahedra, faces with seven equivalent LaLa2Mg10 cuboctahedra, and faces with thirteen equivalent MgLa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.37–3.46 Å. There are a spread of Mg–La bond distances ranging from 3.36–3.60 Å. La is bonded to ten equivalent Mg and two equivalent La atoms to form distorted LaLa2Mg10 cuboctahedra that share corners with eighteen equivalent MgLa5Mg7 cuboctahedra, edges with eight equivalent MgLa5Mg7 cuboctahedra, edges with ten equivalent LaLa2Mg10 cuboctahedra, faces with six equivalent LaLa2Mg10 cuboctahedra, and faces with fourteen equivalent MgLa5Mg7 cuboctahedra. Both La–La bond lengths are 3.53 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: 1745141
• Report Number(s): mp-1094179
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Mg
LaMg2
crystal structure