Materials Data on K3NO3 by Materials Project
Abstract
K3NO3 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.18 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form corner-sharing KO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of K–O bond distances ranging from 2.59–3.01 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six 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 octahedra tilt angles range from 0–27°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28111
- 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; K3NO3; K-N-O
- OSTI Identifier:
- 1202239
- DOI:
- https://doi.org/10.17188/1202239
Citation Formats
The Materials Project. Materials Data on K3NO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202239.
The Materials Project. Materials Data on K3NO3 by Materials Project. United States. doi:https://doi.org/10.17188/1202239
The Materials Project. 2020.
"Materials Data on K3NO3 by Materials Project". United States. doi:https://doi.org/10.17188/1202239. https://www.osti.gov/servlets/purl/1202239. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202239,
title = {Materials Data on K3NO3 by Materials Project},
author = {The Materials Project},
abstractNote = {K3NO3 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.18 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form corner-sharing KO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of K–O bond distances ranging from 2.59–3.01 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six 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 octahedra tilt angles range from 0–27°.},
doi = {10.17188/1202239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}