U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K4N2O5 by Materials Project
Abstract
K4N2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.19 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.47–2.91 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one N3+ atom. In the second O2- site, O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-677509
- 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; K4N2O5; K-N-O
- OSTI Identifier:
- 1283356
- DOI:
- https://doi.org/10.17188/1283356
Citation Formats
The Materials Project. Materials Data on K4N2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283356.
The Materials Project. Materials Data on K4N2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1283356
The Materials Project. 2020.
"Materials Data on K4N2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1283356. https://www.osti.gov/servlets/purl/1283356. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1283356,
title = {Materials Data on K4N2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K4N2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.19 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.47–2.91 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one N3+ atom. In the second O2- site, O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N3+ atom.},
doi = {10.17188/1283356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}