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Materials Data on Ce3Mg by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1714049· OSTI ID:1714049
MgCe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Ce atoms. There are eight shorter (3.26 Å) and six longer (3.76 Å) Mg–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Ce atoms. All Ce–Ce bond lengths are 3.26 Å. In the second Ce site, Ce is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ce 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:
1714049
Report Number(s):
mp-1039189
Country of Publication:
United States
Language:
English

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