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Title: Materials Data on As4S3 by Materials Project

Abstract

As4S3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetraarsenic trisulfide molecules. there are three inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.27 Å) As–S bond lengths. In the second As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.23 Å. In the third As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.23 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557321
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; As4S3; As-S
OSTI Identifier:
1269786
DOI:
10.17188/1269786

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on As4S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269786.
Persson, Kristin, & Project, Materials. Materials Data on As4S3 by Materials Project. United States. doi:10.17188/1269786.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on As4S3 by Materials Project". United States. doi:10.17188/1269786. https://www.osti.gov/servlets/purl/1269786. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1269786,
title = {Materials Data on As4S3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {As4S3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetraarsenic trisulfide molecules. there are three inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.27 Å) As–S bond lengths. In the second As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.23 Å. In the third As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.23 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms.},
doi = {10.17188/1269786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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