U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsS by Materials Project
Abstract
SAs crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SAs clusters. there are eight inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fifth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the sixth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the seventh As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1229002
- 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; AsS; As-S
- OSTI Identifier:
- 1674803
- DOI:
- https://doi.org/10.17188/1674803
Citation Formats
The Materials Project. Materials Data on AsS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1674803.
The Materials Project. Materials Data on AsS by Materials Project. United States. doi:https://doi.org/10.17188/1674803
The Materials Project. 2020.
"Materials Data on AsS by Materials Project". United States. doi:https://doi.org/10.17188/1674803. https://www.osti.gov/servlets/purl/1674803. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1674803,
title = {Materials Data on AsS by Materials Project},
author = {The Materials Project},
abstractNote = {SAs crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SAs clusters. there are eight inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fifth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the sixth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the seventh As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.37 Å. In the eighth As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.37 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.},
doi = {10.17188/1674803},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}