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Title: Materials Data on KC(NO2)2 by Materials Project

Abstract

K(NO2)2C crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight methane molecules and one K(NO2)2 framework. In the K(NO2)2 framework, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.15 Å. There are two inequivalent N+1.50+ sites. In the first N+1.50+ site, N+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) N–O bond length. In the second N+1.50+ site, N+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+1.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+1.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+1.50+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometrymore » to two equivalent K1+ and one N+1.50+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555541
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KC(NO2)2; C-K-N-O
OSTI Identifier:
1268865
DOI:
10.17188/1268865

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KC(NO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268865.
Persson, Kristin, & Project, Materials. Materials Data on KC(NO2)2 by Materials Project. United States. doi:10.17188/1268865.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KC(NO2)2 by Materials Project". United States. doi:10.17188/1268865. https://www.osti.gov/servlets/purl/1268865. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1268865,
title = {Materials Data on KC(NO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K(NO2)2C crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight methane molecules and one K(NO2)2 framework. In the K(NO2)2 framework, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.15 Å. There are two inequivalent N+1.50+ sites. In the first N+1.50+ site, N+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) N–O bond length. In the second N+1.50+ site, N+1.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+1.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+1.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+1.50+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one N+1.50+ atom.},
doi = {10.17188/1268865},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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