U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KC2N3 by Materials Project
Abstract
KC2N3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to seven N3- atoms to form a mixture of distorted edge and face-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.84–3.23 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent K1+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-637256
- 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; KC2N3; C-K-N
- OSTI Identifier:
- 1279647
- DOI:
- https://doi.org/10.17188/1279647
Citation Formats
The Materials Project. Materials Data on KC2N3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279647.
The Materials Project. Materials Data on KC2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1279647
The Materials Project. 2020.
"Materials Data on KC2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1279647. https://www.osti.gov/servlets/purl/1279647. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279647,
title = {Materials Data on KC2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {KC2N3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to seven N3- atoms to form a mixture of distorted edge and face-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.84–3.23 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent K1+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C4+ atoms.},
doi = {10.17188/1279647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}