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Materials Data on LiMg3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1741994· OSTI ID:1741994
Mg3Li is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Li–Mg bond lengths are 3.05 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a distorted 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:
1741994
Report Number(s):
mp-1094603
Country of Publication:
United States
Language:
English

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