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Materials Data on Li3Ga by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314935· OSTI ID:1314935
Li3Ga is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing LiLi4Ga4 tetrahedra. All Li–Li bond lengths are 2.75 Å. All Li–Ga bond lengths are 2.75 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Ga atoms. All Li–Ga bond lengths are 3.17 Å. Ga is bonded in a body-centered cubic geometry to fourteen Li 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:
1314935
Report Number(s):
mp-976023
Country of Publication:
United States
Language:
English

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