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Materials Data on HfMg3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1652840· OSTI ID:1652840
Mg3Hf is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m 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 eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Hf atoms. All Mg–Hf bond lengths are 3.05 Å. Hf 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:
1652840
Report Number(s):
mp-1094184
Country of Publication:
United States
Language:
English

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