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Title: Materials Data on AsS4N4F5 by Materials Project

Abstract

(NS)4AsF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four AsF5 clusters. In each AsF5 cluster, As5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are five 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.

Publication Date:
Other Number(s):
mp-558254
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:
1270243
DOI:
10.17188/1270243

Citation Formats

The Materials Project. Materials Data on AsS4N4F5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270243.
The Materials Project. Materials Data on AsS4N4F5 by Materials Project. United States. doi:10.17188/1270243.
The Materials Project. 2020. "Materials Data on AsS4N4F5 by Materials Project". United States. doi:10.17188/1270243. https://www.osti.gov/servlets/purl/1270243. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270243,
title = {Materials Data on AsS4N4F5 by Materials Project},
author = {The Materials Project},
abstractNote = {(NS)4AsF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four AsF5 clusters. In each AsF5 cluster, As5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are five 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.},
doi = {10.17188/1270243},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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