Materials Data on Li2MgSb by Materials Project

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

DOI:https://doi.org/10.17188/1749045· OSTI ID:1749045

Li2MgSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms. All Li–Li bond lengths are 3.01 Å. All Li–Mg bond lengths are 3.01 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Sb atoms to form distorted edge-sharing LiLi4Sb4 tetrahedra. All Li–Sb bond lengths are 3.01 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sb atoms. All Mg–Sb bond lengths are 3.01 Å. Sb is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms.

• 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: 1749045
• Report Number(s): mp-1222660
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Li-Mg-Sb
Li2MgSb
crystal structure