Materials Data on LaMg2 by Materials Project

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

DOI:https://doi.org/10.17188/1733003· OSTI ID:1733003

Mg2La crystallizes in the monoclinic C2/c 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 six equivalent LaLa2Mg10 cuboctahedra, corners with twelve equivalent MgLa5Mg7 cuboctahedra, edges with four equivalent LaLa2Mg10 cuboctahedra, edges with fourteen equivalent MgLa5Mg7 cuboctahedra, faces with eight equivalent LaLa2Mg10 cuboctahedra, and faces with twelve equivalent MgLa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.37–3.50 Å. There are a spread of Mg–La bond distances ranging from 3.36–3.53 Å. La is bonded to ten equivalent Mg and two equivalent La atoms to form LaLa2Mg10 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve equivalent MgLa5Mg7 cuboctahedra, edges with eight equivalent MgLa5Mg7 cuboctahedra, edges with ten equivalent LaLa2Mg10 cuboctahedra, faces with four equivalent LaLa2Mg10 cuboctahedra, and faces with sixteen equivalent MgLa5Mg7 cuboctahedra. Both La–La bond lengths are 3.38 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: 1733003
• Report Number(s): mp-1094187
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Mg
LaMg2
crystal structure