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Title: Materials Data on As(S2F3)2 by Materials Project

Abstract

AsF6(S)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixty-four hydrogen sulfide molecules and sixteen AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-27578
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; As(S2F3)2; As-F-S
OSTI Identifier:
1201793
DOI:
https://doi.org/10.17188/1201793

Citation Formats

The Materials Project. Materials Data on As(S2F3)2 by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1201793.
The Materials Project. Materials Data on As(S2F3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1201793
The Materials Project. 2016. "Materials Data on As(S2F3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1201793. https://www.osti.gov/servlets/purl/1201793. Pub date:Sun Jul 03 00:00:00 EDT 2016
@article{osti_1201793,
title = {Materials Data on As(S2F3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AsF6(S)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixty-four hydrogen sulfide molecules and sixteen AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},
doi = {10.17188/1201793},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jul 03 00:00:00 EDT 2016},
month = {Sun Jul 03 00:00:00 EDT 2016}
}