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

Abstract

NpCo(N2O3)2(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four nitroxyl molecules and two NpCo(N2O3)2 ribbons oriented in the (1, 0, 0) direction. In each NpCo(N2O3)2 ribbon, Np7+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.83–2.66 Å. Co3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.95 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one N1+ atom. The N–N bond length is 1.14 Å. In the second N1+ site, N1+ is bonded in a linear geometry to one N1+ and one O2- atom. The N–O bond length is 1.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np7+ and one N1+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Np7+ and one Co3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1198186
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; NpCo(N3O4)2; Co-N-Np-O
OSTI Identifier:
1717173
DOI:
https://doi.org/10.17188/1717173

Citation Formats

The Materials Project. Materials Data on NpCo(N3O4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717173.
The Materials Project. Materials Data on NpCo(N3O4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717173
The Materials Project. 2019. "Materials Data on NpCo(N3O4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717173. https://www.osti.gov/servlets/purl/1717173. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717173,
title = {Materials Data on NpCo(N3O4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NpCo(N2O3)2(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four nitroxyl molecules and two NpCo(N2O3)2 ribbons oriented in the (1, 0, 0) direction. In each NpCo(N2O3)2 ribbon, Np7+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.83–2.66 Å. Co3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Co–O bond lengths are 1.95 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one N1+ atom. The N–N bond length is 1.14 Å. In the second N1+ site, N1+ is bonded in a linear geometry to one N1+ and one O2- atom. The N–O bond length is 1.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np7+ and one N1+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Np7+ and one Co3+ atom.},
doi = {10.17188/1717173},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}