U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsS2 by Materials Project
Abstract
SSAs crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two SSAs ribbons oriented in the (1, 0, 1) direction. there are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.27–2.36 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.28–2.35 Å. In the third As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.29–2.34 Å. In the fourth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.26–2.36 Å. There are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the second S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191613
- 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; AsS2; As-S
- OSTI Identifier:
- 1754572
- DOI:
- https://doi.org/10.17188/1754572
Citation Formats
The Materials Project. Materials Data on AsS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1754572.
The Materials Project. Materials Data on AsS2 by Materials Project. United States. doi:https://doi.org/10.17188/1754572
The Materials Project. 2020.
"Materials Data on AsS2 by Materials Project". United States. doi:https://doi.org/10.17188/1754572. https://www.osti.gov/servlets/purl/1754572. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1754572,
title = {Materials Data on AsS2 by Materials Project},
author = {The Materials Project},
abstractNote = {SSAs crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two SSAs ribbons oriented in the (1, 0, 1) direction. there are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.27–2.36 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.28–2.35 Å. In the third As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.29–2.34 Å. In the fourth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S+1.50- atoms. There are a spread of As–S bond distances ranging from 2.26–2.36 Å. There are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the second S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. The S–S bond length is 2.06 Å. In the third S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. In the fourth S+1.50- site, S+1.50- is bonded in a distorted water-like geometry to one As3+ and one S+1.50- atom. In the fifth S+1.50- site, S+1.50- is bonded in an L-shaped geometry to two As3+ atoms. In the sixth S+1.50- site, S+1.50- is bonded in a water-like geometry to two As3+ atoms. In the seventh S+1.50- site, S+1.50- is bonded in a water-like geometry to two As3+ atoms. In the eighth S+1.50- site, S+1.50- is bonded in an L-shaped geometry to two As3+ atoms.},
doi = {10.17188/1754572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}