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Title: Materials Data on HNO3 by Materials Project

Abstract

HNO3 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of sixteen nitric acid molecules. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.38 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one N5+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.

Publication Date:
Other Number(s):
mp-1224772
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; HNO3; H-N-O
OSTI Identifier:
1716852
DOI:
https://doi.org/10.17188/1716852

Citation Formats

The Materials Project. Materials Data on HNO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716852.
The Materials Project. Materials Data on HNO3 by Materials Project. United States. doi:https://doi.org/10.17188/1716852
The Materials Project. 2020. "Materials Data on HNO3 by Materials Project". United States. doi:https://doi.org/10.17188/1716852. https://www.osti.gov/servlets/purl/1716852. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1716852,
title = {Materials Data on HNO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HNO3 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of sixteen nitric acid molecules. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.38 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one N5+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.},
doi = {10.17188/1716852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}