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Materials Data on Mn3Al by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314026· OSTI ID:1314026
Mn3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Mn–Mn bond lengths are 2.48 Å. All Mn–Al bond lengths are 2.48 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Al atoms. All Mn–Al bond lengths are 2.86 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Mn 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:
1314026
Report Number(s):
mp-973149
Country of Publication:
United States
Language:
English

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