skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on P4S5 by Materials Project

Abstract

P4S5 is alpha U structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two P4S5 clusters. there are four inequivalent P+2.50+ sites. In the first P+2.50+ site, P+2.50+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.13 Å) and one longer (2.17 Å) P–S bond lengths. In the second P+2.50+ site, P+2.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.07 Å. In the third P+2.50+ site, P+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.94–2.13 Å. In the fourth P+2.50+ site, P+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.13 Å) and one longer (2.16 Å) P–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the fourth S2-more » site, S2- is bonded in an L-shaped geometry to two P+2.50+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one P+2.50+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1284459
Report Number(s):
mp-690
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; P4S5; P-S

Citation Formats

The Materials Project. Materials Data on P4S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284459.
The Materials Project. Materials Data on P4S5 by Materials Project. United States. https://doi.org/10.17188/1284459
The Materials Project. 2020. "Materials Data on P4S5 by Materials Project". United States. https://doi.org/10.17188/1284459. https://www.osti.gov/servlets/purl/1284459.
@article{osti_1284459,
title = {Materials Data on P4S5 by Materials Project},
author = {The Materials Project},
abstractNote = {P4S5 is alpha U structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two P4S5 clusters. there are four inequivalent P+2.50+ sites. In the first P+2.50+ site, P+2.50+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.13 Å) and one longer (2.17 Å) P–S bond lengths. In the second P+2.50+ site, P+2.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.07 Å. In the third P+2.50+ site, P+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.94–2.13 Å. In the fourth P+2.50+ site, P+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.13 Å) and one longer (2.16 Å) P–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two P+2.50+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one P+2.50+ atom.},
doi = {10.17188/1284459},
url = {https://www.osti.gov/biblio/1284459}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}