U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on As3H12C4S5N by Materials Project
Abstract
N(CH3)4As3S5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and one As3S5 ribbon oriented in the (0, 1, 0) direction. In the As3S5 ribbon, there are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.29–2.31 Å. In the second As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.29–2.32 Å. In the third As3- site, As3- is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.22–2.34 Å. In the fourth As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.19–2.34 Å. In the fifth As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the sixth As3- site, As3- is bonded in a see-saw-like geometry to four S2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-759553
- 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; As3H12C4S5N; As-C-H-N-S
- OSTI Identifier:
- 1291444
- DOI:
- https://doi.org/10.17188/1291444
Citation Formats
The Materials Project. Materials Data on As3H12C4S5N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291444.
The Materials Project. Materials Data on As3H12C4S5N by Materials Project. United States. doi:https://doi.org/10.17188/1291444
The Materials Project. 2020.
"Materials Data on As3H12C4S5N by Materials Project". United States. doi:https://doi.org/10.17188/1291444. https://www.osti.gov/servlets/purl/1291444. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1291444,
title = {Materials Data on As3H12C4S5N by Materials Project},
author = {The Materials Project},
abstractNote = {N(CH3)4As3S5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and one As3S5 ribbon oriented in the (0, 1, 0) direction. In the As3S5 ribbon, there are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.29–2.31 Å. In the second As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.29–2.32 Å. In the third As3- site, As3- is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.22–2.34 Å. In the fourth As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.19–2.34 Å. In the fifth As3- site, As3- is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the sixth As3- site, As3- is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.24–2.69 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two As3- atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the eighth S2- site, S2- is bonded in a single-bond geometry to one As3- atom. In the ninth S2- site, S2- is bonded in a water-like geometry to two As3- atoms. In the tenth S2- site, S2- is bonded in an L-shaped geometry to two equivalent As3- atoms.},
doi = {10.17188/1291444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 29 00:00:00 EDT 2020},
month = {Fri May 29 00:00:00 EDT 2020}
}