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Materials Data on Ba3Mn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758218· OSTI ID:1758218
Ba3Mn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ba and four equivalent Mn atoms to form a mixture of distorted corner, edge, and face-sharing BaBa4Mn4 tetrahedra. All Ba–Ba bond lengths are 3.86 Å. All Ba–Mn bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Mn is bonded in a body-centered cubic geometry to eight equivalent Ba 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:
1758218
Report Number(s):
mp-1183323
Country of Publication:
United States
Language:
English

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