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Materials Data on BaTlHg2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1311155· OSTI ID:1311155
BaHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent Tl atoms. All Ba–Hg bond lengths are 3.46 Å. All Ba–Tl bond lengths are 3.99 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.46 Å. Tl is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Hg 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:
1311155
Report Number(s):
mp-865984
Country of Publication:
United States
Language:
English

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