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Title: Materials Data on HNO by Materials Project

Abstract

NHO crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two NHO ribbons oriented in the (1, 0, 1) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 2-coordinate geometry to one N1+ and two O2- atoms. The N–N bond length is 1.19 Å. There is one shorter (1.40 Å) and one longer (1.42 Å) N–O bond length. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one N1+ and one H1+ atom. The N–H bond length is 1.79 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ and one O2- atom. The H–O bond length is 1.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+more » atom.« less

Authors:
Publication Date:
Other Number(s):
mp-625385
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; HNO; H-N-O
OSTI Identifier:
1278368
DOI:
https://doi.org/10.17188/1278368

Citation Formats

The Materials Project. Materials Data on HNO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278368.
The Materials Project. Materials Data on HNO by Materials Project. United States. doi:https://doi.org/10.17188/1278368
The Materials Project. 2020. "Materials Data on HNO by Materials Project". United States. doi:https://doi.org/10.17188/1278368. https://www.osti.gov/servlets/purl/1278368. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1278368,
title = {Materials Data on HNO by Materials Project},
author = {The Materials Project},
abstractNote = {NHO crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two NHO ribbons oriented in the (1, 0, 1) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 2-coordinate geometry to one N1+ and two O2- atoms. The N–N bond length is 1.19 Å. There is one shorter (1.40 Å) and one longer (1.42 Å) N–O bond length. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one N1+ and one H1+ atom. The N–H bond length is 1.79 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ and one O2- atom. The H–O bond length is 1.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom.},
doi = {10.17188/1278368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}