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Title: Materials Data on PS by Materials Project

Abstract

PS1 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetraphosphorous tetrasulfide molecules. there are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a distorted L-shaped geometry to one P2- and two S2+ atoms. The P–P bond length is 2.39 Å. Both P–S bond lengths are 2.12 Å. In the second P2- site, P2- is bonded in a distorted L-shaped geometry to one P2- and two S2+ atoms. Both P–S bond lengths are 2.12 Å. There are three inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a water-like geometry to two equivalent P2- atoms. In the second S2+ site, S2+ is bonded in a water-like geometry to two equivalent P2- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry to two P2- atoms.

Publication Date:
Other Number(s):
mp-612
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; PS; P-S
OSTI Identifier:
1277716
DOI:
https://doi.org/10.17188/1277716

Citation Formats

The Materials Project. Materials Data on PS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277716.
The Materials Project. Materials Data on PS by Materials Project. United States. doi:https://doi.org/10.17188/1277716
The Materials Project. 2020. "Materials Data on PS by Materials Project". United States. doi:https://doi.org/10.17188/1277716. https://www.osti.gov/servlets/purl/1277716. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1277716,
title = {Materials Data on PS by Materials Project},
author = {The Materials Project},
abstractNote = {PS1 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetraphosphorous tetrasulfide molecules. there are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a distorted L-shaped geometry to one P2- and two S2+ atoms. The P–P bond length is 2.39 Å. Both P–S bond lengths are 2.12 Å. In the second P2- site, P2- is bonded in a distorted L-shaped geometry to one P2- and two S2+ atoms. Both P–S bond lengths are 2.12 Å. There are three inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a water-like geometry to two equivalent P2- atoms. In the second S2+ site, S2+ is bonded in a water-like geometry to two equivalent P2- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry to two P2- atoms.},
doi = {10.17188/1277716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}