U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-557321
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-S; As4S3; crystal structure
- OSTI Identifier:
- 1269786
- DOI:
- https://doi.org/10.17188/1269786
Citation Formats
Materials Data on As4S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269786.
Materials Data on As4S3 by Materials Project. United States. doi:https://doi.org/10.17188/1269786
2020.
"Materials Data on As4S3 by Materials Project". United States. doi:https://doi.org/10.17188/1269786. https://www.osti.gov/servlets/purl/1269786. Pub date:Sun Jul 19 20:00:00 EDT 2020
@article{osti_1269786,
title = {Materials Data on As4S3 by Materials Project},
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}
}