DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}