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Materials Data on KB(CN)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1276545· OSTI ID:1276545

K(CN)4B crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one K(CN)4 framework. In the K(CN)4 framework, K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent N3- atoms. There are four shorter (2.95 Å) and four longer (3.24 Å) K–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom.

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:
1276545
Report Number(s):
mp-574060
Country of Publication:
United States
Language:
English

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