Materials Data on NaH3O2 by Materials Project
Abstract
NaOHH2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaOHH2O sheets oriented in the (0, 1, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.46 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.38 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.40 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.31–2.42 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom.more »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1278369
- Report Number(s):
- mp-625391
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; NaH3O2; H-Na-O
Citation Formats
The Materials Project. Materials Data on NaH3O2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278369.
The Materials Project. Materials Data on NaH3O2 by Materials Project. United States. https://doi.org/10.17188/1278369
The Materials Project. 2020.
"Materials Data on NaH3O2 by Materials Project". United States. https://doi.org/10.17188/1278369. https://www.osti.gov/servlets/purl/1278369.
@article{osti_1278369,
title = {Materials Data on NaH3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaOHH2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaOHH2O sheets oriented in the (0, 1, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.46 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.38 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to two H1+ and four O2- atoms. There are one shorter (2.40 Å) and one longer (2.48 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.31–2.42 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.01 Å. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.02 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+ and one H1+ atom.},
doi = {10.17188/1278369},
url = {https://www.osti.gov/biblio/1278369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}