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Materials Data on Mg3HgAu2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1683658· OSTI ID:1683658
Mg3Au2Hg is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Hg atoms. All Mg–Au bond lengths are 2.87 Å. All Mg–Hg bond lengths are 3.00 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Mg–Au bond lengths are 2.89 Å. Au is bonded in a body-centered cubic geometry to eight Mg atoms. Hg is bonded in a distorted body-centered cubic geometry to eight 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:
1683658
Report Number(s):
mp-1222137
Country of Publication:
United States
Language:
English

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