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Title: Materials Data on P4S3 by Materials Project

Abstract

P4S3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetraphosphorus trisulfide molecules. there are three inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.10 Å. In the second P+1.50+ site, P+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.12 Å. In the third P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.10 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+1.50+ atoms.

Publication Date:
Other Number(s):
mp-1469
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; P4S3; P-S
OSTI Identifier:
1190836
DOI:
https://doi.org/10.17188/1190836

Citation Formats

The Materials Project. Materials Data on P4S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190836.
The Materials Project. Materials Data on P4S3 by Materials Project. United States. doi:https://doi.org/10.17188/1190836
The Materials Project. 2020. "Materials Data on P4S3 by Materials Project". United States. doi:https://doi.org/10.17188/1190836. https://www.osti.gov/servlets/purl/1190836. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1190836,
title = {Materials Data on P4S3 by Materials Project},
author = {The Materials Project},
abstractNote = {P4S3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetraphosphorus trisulfide molecules. there are three inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.10 Å. In the second P+1.50+ site, P+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.12 Å. In the third P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.10 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+1.50+ atoms.},
doi = {10.17188/1190836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}