Materials Data on KC4N3 by Materials Project
Abstract
K(CN)3C crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methane molecules and one K(CN)3 ribbon oriented in the (1, 0, 0) direction. In the K(CN)3 ribbon, K1+ is bonded to seven N3- atoms to form a mixture of distorted face and edge-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.88–3.09 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-574029
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KC4N3; C-K-N
- OSTI Identifier:
- 1276543
- DOI:
- https://doi.org/10.17188/1276543
Citation Formats
The Materials Project. Materials Data on KC4N3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276543.
The Materials Project. Materials Data on KC4N3 by Materials Project. United States. doi:https://doi.org/10.17188/1276543
The Materials Project. 2020.
"Materials Data on KC4N3 by Materials Project". United States. doi:https://doi.org/10.17188/1276543. https://www.osti.gov/servlets/purl/1276543. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276543,
title = {Materials Data on KC4N3 by Materials Project},
author = {The Materials Project},
abstractNote = {K(CN)3C crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methane molecules and one K(CN)3 ribbon oriented in the (1, 0, 0) direction. In the K(CN)3 ribbon, K1+ is bonded to seven N3- atoms to form a mixture of distorted face and edge-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.88–3.09 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C2+ atom.},
doi = {10.17188/1276543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}