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

Abstract

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.

Publication Date:
Other Number(s):
mp-861914
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba3Co(CN)3; Ba-C-Co-N
OSTI Identifier:
1309312
DOI:
10.17188/1309312

Citation Formats

The Materials Project. Materials Data on Ba3Co(CN)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309312.
The Materials Project. Materials Data on Ba3Co(CN)3 by Materials Project. United States. doi:10.17188/1309312.
The Materials Project. 2020. "Materials Data on Ba3Co(CN)3 by Materials Project". United States. doi:10.17188/1309312. https://www.osti.gov/servlets/purl/1309312. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1309312,
title = {Materials Data on Ba3Co(CN)3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1309312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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