U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KHC(NO)2 by Materials Project
Abstract
KCH(NO)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to four equivalent N1- and six equivalent O2- atoms. There are two shorter (3.10 Å) and two longer (3.22 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.81–2.98 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N1- and one H1+ atom. Both C–N bond lengths are 1.35 Å. The C–H bond length is 1.10 Å. N1- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one C4+, and one O2- atom. The N–O bond length is 1.28 Å. H1+ is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N1- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192729
- 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; KHC(NO)2; C-H-K-N-O
- OSTI Identifier:
- 1707071
- DOI:
- https://doi.org/10.17188/1707071
Citation Formats
The Materials Project. Materials Data on KHC(NO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707071.
The Materials Project. Materials Data on KHC(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1707071
The Materials Project. 2020.
"Materials Data on KHC(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1707071. https://www.osti.gov/servlets/purl/1707071. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707071,
title = {Materials Data on KHC(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KCH(NO)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to four equivalent N1- and six equivalent O2- atoms. There are two shorter (3.10 Å) and two longer (3.22 Å) K–N bond lengths. There are a spread of K–O bond distances ranging from 2.81–2.98 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N1- and one H1+ atom. Both C–N bond lengths are 1.35 Å. The C–H bond length is 1.10 Å. N1- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one C4+, and one O2- atom. The N–O bond length is 1.28 Å. H1+ is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one N1- atom.},
doi = {10.17188/1707071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}