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Title: Materials Data on AsS4N4F5 by Materials Project

Abstract

(NS)4AsF5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two AsF5 clusters. In each AsF5 cluster, As5+ is bonded in a square pyramidal geometry to five F1- atoms. There is one shorter (1.76 Å) and four longer (1.78 Å) As–F bond length. There are three 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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559296
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; AsS4N4F5; As-F-N-S
OSTI Identifier:
1270768
DOI:
10.17188/1270768

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AsS4N4F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270768.
Persson, Kristin, & Project, Materials. Materials Data on AsS4N4F5 by Materials Project. United States. doi:10.17188/1270768.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AsS4N4F5 by Materials Project". United States. doi:10.17188/1270768. https://www.osti.gov/servlets/purl/1270768. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270768,
title = {Materials Data on AsS4N4F5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(NS)4AsF5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two AsF5 clusters. In each AsF5 cluster, As5+ is bonded in a square pyramidal geometry to five F1- atoms. There is one shorter (1.76 Å) and four longer (1.78 Å) As–F bond length. There are three 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.},
doi = {10.17188/1270768},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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