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Title: Materials Data on As8S9 by Materials Project

Abstract

As4S5(SAs)4 crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetraarsenic tetrasulfide molecules and two As4S5 clusters. In each As4S5 cluster, there are two inequivalent As+2.25+ sites. In the first As+2.25+ site, As+2.25+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) As–S bond lengths. In the second As+2.25+ site, As+2.25+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.27 Å) and two longer (2.28 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent As+2.25+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-31070
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; As8S9; As-S
OSTI Identifier:
1205397
DOI:
https://doi.org/10.17188/1205397

Citation Formats

The Materials Project. Materials Data on As8S9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205397.
The Materials Project. Materials Data on As8S9 by Materials Project. United States. doi:https://doi.org/10.17188/1205397
The Materials Project. 2020. "Materials Data on As8S9 by Materials Project". United States. doi:https://doi.org/10.17188/1205397. https://www.osti.gov/servlets/purl/1205397. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205397,
title = {Materials Data on As8S9 by Materials Project},
author = {The Materials Project},
abstractNote = {As4S5(SAs)4 crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetraarsenic tetrasulfide molecules and two As4S5 clusters. In each As4S5 cluster, there are two inequivalent As+2.25+ sites. In the first As+2.25+ site, As+2.25+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) As–S bond lengths. In the second As+2.25+ site, As+2.25+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.27 Å) and two longer (2.28 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent As+2.25+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms.},
doi = {10.17188/1205397},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}