Materials Data on AsS3(ClF2)3 by Materials Project
Abstract
AsF6SSClSCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 15880-17-8 molecules, two hydrogen sulfide molecules, two sulfur dichloride molecules, and two AsF6 clusters. In each AsF6 cluster, As1- is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As1- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-23112
- 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; AsS3(ClF2)3; As-Cl-F-S
- OSTI Identifier:
- 1199244
- DOI:
- https://doi.org/10.17188/1199244
Citation Formats
The Materials Project. Materials Data on AsS3(ClF2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199244.
The Materials Project. Materials Data on AsS3(ClF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1199244
The Materials Project. 2020.
"Materials Data on AsS3(ClF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1199244. https://www.osti.gov/servlets/purl/1199244. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1199244,
title = {Materials Data on AsS3(ClF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {AsF6SSClSCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 15880-17-8 molecules, two hydrogen sulfide molecules, two sulfur dichloride molecules, and two AsF6 clusters. In each AsF6 cluster, As1- is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As1- atom.},
doi = {10.17188/1199244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}