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Materials Data on KAc3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1759671· OSTI ID:1759671

KAc3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to fourteen Ac atoms. There are eight shorter (3.98 Å) and six longer (4.59 Å) K–Ac bond lengths. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Ac atoms. All Ac–Ac bond lengths are 3.98 Å. In the second Ac site, Ac is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Ac 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:
1759671
Report Number(s):
mp-1185033
Country of Publication:
United States
Language:
English

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