U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-31070
- 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; As8S9; crystal structure
- OSTI Identifier:
- 1205397
- DOI:
- https://doi.org/10.17188/1205397
Citation Formats
Materials Data on As8S9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205397.
Materials Data on As8S9 by Materials Project. United States. doi:https://doi.org/10.17188/1205397
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},
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}
}