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Title: Materials Data on Ba3Co(CN)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1309312· OSTI ID:1309312

Ba3Co(CN)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.78–3.41 Å. Co1+ is bonded in a trigonal planar geometry to three equivalent C+0.67+ atoms. All Co–C bond lengths are 1.78 Å. C+0.67+ is bonded in a distorted linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.24 Å. N3- is bonded in a distorted single-bond geometry to five equivalent Ba2+ and one C+0.67+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1309312
Report Number(s):
mp-861914
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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