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Title: Materials Data on Na3PSO3 by Materials Project

Abstract

Na3PO3S crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to two equivalent S2- and four equivalent O2- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Na–S bond lengths. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. P5+ is bonded in a distorted tetrahedral geometry to one S2- and three equivalent O2- atoms. The P–S bond length is 2.10 Å. All P–O bond lengths are 1.55 Å. S2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one P5+ atom. O2- is bonded to four equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing ONa4P trigonal bipyramids.

Publication Date:
Other Number(s):
mp-542136
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; Na3PSO3; Na-O-P-S
OSTI Identifier:
1266426
DOI:
10.17188/1266426

Citation Formats

The Materials Project. Materials Data on Na3PSO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266426.
The Materials Project. Materials Data on Na3PSO3 by Materials Project. United States. doi:10.17188/1266426.
The Materials Project. 2020. "Materials Data on Na3PSO3 by Materials Project". United States. doi:10.17188/1266426. https://www.osti.gov/servlets/purl/1266426. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1266426,
title = {Materials Data on Na3PSO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3PO3S crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to two equivalent S2- and four equivalent O2- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Na–S bond lengths. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. P5+ is bonded in a distorted tetrahedral geometry to one S2- and three equivalent O2- atoms. The P–S bond length is 2.10 Å. All P–O bond lengths are 1.55 Å. S2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one P5+ atom. O2- is bonded to four equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing ONa4P trigonal bipyramids.},
doi = {10.17188/1266426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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