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Title: Materials Data on NaHO by Materials Project

Abstract

NaOH crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two NaOH sheets oriented in the (1, 0, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to three H1+ and five O2- atoms. There are one shorter (2.26 Å) and two longer (2.49 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.46–2.58 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to two equivalent H1+ and three O2- atoms. Both Na–H bond lengths are 2.19 Å. There are two shorter (2.29 Å) and one longer (2.43 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to three Na1+ and one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and onemore » H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to five Na1+ and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-626506
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; NaHO; H-Na-O
OSTI Identifier:
1278686
DOI:
10.17188/1278686

Citation Formats

The Materials Project. Materials Data on NaHO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278686.
The Materials Project. Materials Data on NaHO by Materials Project. United States. doi:10.17188/1278686.
The Materials Project. 2020. "Materials Data on NaHO by Materials Project". United States. doi:10.17188/1278686. https://www.osti.gov/servlets/purl/1278686. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1278686,
title = {Materials Data on NaHO by Materials Project},
author = {The Materials Project},
abstractNote = {NaOH crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two NaOH sheets oriented in the (1, 0, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to three H1+ and five O2- atoms. There are one shorter (2.26 Å) and two longer (2.49 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.46–2.58 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to two equivalent H1+ and three O2- atoms. Both Na–H bond lengths are 2.19 Å. There are two shorter (2.29 Å) and one longer (2.43 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to three Na1+ and one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to five Na1+ and one H1+ atom.},
doi = {10.17188/1278686},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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