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Title: Materials Data on AsSOF9 by Materials Project

Abstract

AsF6SOF3 is Iron Boride structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trifluoro(hydroxy)-$l^{4}-sulfane molecules and four 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 four 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.

Publication Date:
Other Number(s):
mp-556515
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AsSOF9; As-F-O-S
OSTI Identifier:
1269387
DOI:
10.17188/1269387

Citation Formats

The Materials Project. Materials Data on AsSOF9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269387.
The Materials Project. Materials Data on AsSOF9 by Materials Project. United States. doi:10.17188/1269387.
The Materials Project. 2020. "Materials Data on AsSOF9 by Materials Project". United States. doi:10.17188/1269387. https://www.osti.gov/servlets/purl/1269387. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269387,
title = {Materials Data on AsSOF9 by Materials Project},
author = {The Materials Project},
abstractNote = {AsF6SOF3 is Iron Boride structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trifluoro(hydroxy)-$l^{4}-sulfane molecules and four 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 four 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.},
doi = {10.17188/1269387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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