DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KCo(N3O4)2 by Materials Project

Abstract

K(NO2)4CoN2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four diamino cobalt molecules and two K(NO2)4 ribbons oriented in the (1, 0, 0) direction. In each K(NO2)4 ribbon, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.11 Å. There are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.23 Å. In the second N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the third N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.23 Å) N–O bond length. In the fourth N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in amore » single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1201035
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; KCo(N3O4)2; Co-K-N-O
OSTI Identifier:
1672676
DOI:
https://doi.org/10.17188/1672676

Citation Formats

The Materials Project. Materials Data on KCo(N3O4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672676.
The Materials Project. Materials Data on KCo(N3O4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672676
The Materials Project. 2020. "Materials Data on KCo(N3O4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672676. https://www.osti.gov/servlets/purl/1672676. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672676,
title = {Materials Data on KCo(N3O4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K(NO2)4CoN2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four diamino cobalt molecules and two K(NO2)4 ribbons oriented in the (1, 0, 0) direction. In each K(NO2)4 ribbon, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.11 Å. There are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.23 Å. In the second N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the third N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.23 Å) N–O bond length. In the fourth N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one N2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N2+ atom.},
doi = {10.17188/1672676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}