U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCN by Materials Project
Abstract
KCN crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.90 Å) and one longer (2.94 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.96–3.19 Å. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 3.00–3.33 Å. In the fourth K1+ site, K1+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.93–3.21 Å. There are four 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 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223490
- 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; KCN; C-K-N
- OSTI Identifier:
- 1685791
- DOI:
- https://doi.org/10.17188/1685791
Citation Formats
The Materials Project. Materials Data on KCN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685791.
The Materials Project. Materials Data on KCN by Materials Project. United States. doi:https://doi.org/10.17188/1685791
The Materials Project. 2020.
"Materials Data on KCN by Materials Project". United States. doi:https://doi.org/10.17188/1685791. https://www.osti.gov/servlets/purl/1685791. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685791,
title = {Materials Data on KCN by Materials Project},
author = {The Materials Project},
abstractNote = {KCN crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.90 Å) and one longer (2.94 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.96–3.19 Å. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 3.00–3.33 Å. In the fourth K1+ site, K1+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.93–3.21 Å. There are four 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 1.18 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. In the fourth 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 four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one C2+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C2+ atom.},
doi = {10.17188/1685791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}