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Materials Data on MgCd3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1730828· OSTI ID:1730828
MgCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.07 Å) and six longer (3.54 Å) Mg–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Cd atoms. All Cd–Cd bond lengths are 3.07 Å. In the second Cd site, Cd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Cd 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:
1730828
Report Number(s):
mp-1039249
Country of Publication:
United States
Language:
English

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