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Title: Materials Data on SeN by Materials Project

Abstract

NSe is red selenium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NSe clusters. there are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. Both N–Se bond lengths are 1.81 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the fourth N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. There are four inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the second Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the third Se1- site, Se1- is bonded in a water-like geometrymore » to two N1+ atoms. In the fourth Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542635
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; SeN; N-Se
OSTI Identifier:
1266613
DOI:
10.17188/1266613

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SeN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266613.
Persson, Kristin, & Project, Materials. Materials Data on SeN by Materials Project. United States. doi:10.17188/1266613.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SeN by Materials Project". United States. doi:10.17188/1266613. https://www.osti.gov/servlets/purl/1266613. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1266613,
title = {Materials Data on SeN by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NSe is red selenium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four NSe clusters. there are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. Both N–Se bond lengths are 1.81 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. In the fourth N1+ site, N1+ is bonded in a bent 120 degrees geometry to two Se1- atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) N–Se bond length. There are four inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the second Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the third Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms. In the fourth Se1- site, Se1- is bonded in a water-like geometry to two N1+ atoms.},
doi = {10.17188/1266613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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