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Title: Materials Data on NaHNO2 by Materials Project

Abstract

NaNHO2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to two equivalent H and six O atoms. Both Na–H bond lengths are 2.55 Å. There are a spread of Na–O bond distances ranging from 2.40–2.50 Å. In the second Na site, Na is bonded to seven O atoms to form distorted face-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.53–2.62 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to one N and two O atoms. The N–N bond length is 1.30 Å. There is one shorter (1.32 Å) and one longer (1.33 Å) N–O bond length. In the second N site, N is bonded in a distorted bent 120 degrees geometry to one N and one O atom. The N–O bond length is 1.34 Å. H is bonded in a single-bond geometry to one Na and one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bondedmore » in a 5-coordinate geometry to four Na and one N atom. In the second O site, O is bonded in a water-like geometry to three Na and two equivalent H atoms. In the third O site, O is bonded in a 5-coordinate geometry to four Na and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one N atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696315
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; NaHNO2; H-N-Na-O
OSTI Identifier:
1284988
DOI:
10.17188/1284988

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaHNO2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1284988.
Persson, Kristin, & Project, Materials. Materials Data on NaHNO2 by Materials Project. United States. doi:10.17188/1284988.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on NaHNO2 by Materials Project". United States. doi:10.17188/1284988. https://www.osti.gov/servlets/purl/1284988. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1284988,
title = {Materials Data on NaHNO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaNHO2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to two equivalent H and six O atoms. Both Na–H bond lengths are 2.55 Å. There are a spread of Na–O bond distances ranging from 2.40–2.50 Å. In the second Na site, Na is bonded to seven O atoms to form distorted face-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.53–2.62 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to one N and two O atoms. The N–N bond length is 1.30 Å. There is one shorter (1.32 Å) and one longer (1.33 Å) N–O bond length. In the second N site, N is bonded in a distorted bent 120 degrees geometry to one N and one O atom. The N–O bond length is 1.34 Å. H is bonded in a single-bond geometry to one Na and one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Na and one N atom. In the second O site, O is bonded in a water-like geometry to three Na and two equivalent H atoms. In the third O site, O is bonded in a 5-coordinate geometry to four Na and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one N atom.},
doi = {10.17188/1284988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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