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Title: Materials Data on K2Ca(NO2)4 by Materials Project

Abstract

K2Ca(NO2)4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one K2Ca(NO2)4 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.89 Å. Ca2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Ca–O bond lengths are 2.31 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.30 Å. In the second N3+ site, 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 2-coordinate geometry to one K1+, one Ca2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one N3+ atom.

Publication Date:
Other Number(s):
mp-557597
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; K2Ca(NO2)4; Ca-K-N-O
OSTI Identifier:
1269915
DOI:
10.17188/1269915

Citation Formats

The Materials Project. Materials Data on K2Ca(NO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269915.
The Materials Project. Materials Data on K2Ca(NO2)4 by Materials Project. United States. doi:10.17188/1269915.
The Materials Project. 2020. "Materials Data on K2Ca(NO2)4 by Materials Project". United States. doi:10.17188/1269915. https://www.osti.gov/servlets/purl/1269915. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269915,
title = {Materials Data on K2Ca(NO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Ca(NO2)4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one K2Ca(NO2)4 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.89 Å. Ca2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Ca–O bond lengths are 2.31 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.30 Å. In the second N3+ site, 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 2-coordinate geometry to one K1+, one Ca2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one N3+ atom.},
doi = {10.17188/1269915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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