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Title: Materials Data on Na2SO3 by Materials Project

Abstract

Na2SO3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted water-like geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–3.00 Å. In the second Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (2.28 Å) and two longer (2.29 Å) Na–O bond lengths. S4+ is bonded in a T-shaped geometry to three O2- atoms. There is one shorter (1.54 Å) and two longer (1.64 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to four Na1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Na1+ and one S4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35248
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; Na2SO3; Na-O-S
OSTI Identifier:
1206966
DOI:
10.17188/1206966

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2SO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206966.
Persson, Kristin, & Project, Materials. Materials Data on Na2SO3 by Materials Project. United States. doi:10.17188/1206966.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2SO3 by Materials Project". United States. doi:10.17188/1206966. https://www.osti.gov/servlets/purl/1206966. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1206966,
title = {Materials Data on Na2SO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2SO3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted water-like geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–3.00 Å. In the second Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (2.28 Å) and two longer (2.29 Å) Na–O bond lengths. S4+ is bonded in a T-shaped geometry to three O2- atoms. There is one shorter (1.54 Å) and two longer (1.64 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to four Na1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Na1+ and one S4+ atom.},
doi = {10.17188/1206966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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