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Title: Materials Data on Na2S2O3 by Materials Project

Abstract

Na2S2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules and one Na2SO3 framework. In the Na2SO3 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.39–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.62 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one S2+ atom to form a mixture of distorted edge and corner-sharing ONa3S tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one S2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4199
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; Na2S2O3; Na-O-S
OSTI Identifier:
1207952
DOI:
10.17188/1207952

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2S2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207952.
Persson, Kristin, & Project, Materials. Materials Data on Na2S2O3 by Materials Project. United States. doi:10.17188/1207952.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2S2O3 by Materials Project". United States. doi:10.17188/1207952. https://www.osti.gov/servlets/purl/1207952. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207952,
title = {Materials Data on Na2S2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2S2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules and one Na2SO3 framework. In the Na2SO3 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.39–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.62 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one S2+ atom to form a mixture of distorted edge and corner-sharing ONa3S tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one S2+ atom.},
doi = {10.17188/1207952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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