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Title: Materials Data on BS4(NF)4 by Materials Project

Abstract

BF4(NS)4 is Tenorite-like structured and 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 BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is three shorter (1.42 Å) and one longer (1.43 Å) B–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1201734
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; BS4(NF)4; B-F-N-S
OSTI Identifier:
1698669
DOI:
https://doi.org/10.17188/1698669

Citation Formats

The Materials Project. Materials Data on BS4(NF)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698669.
The Materials Project. Materials Data on BS4(NF)4 by Materials Project. United States. doi:https://doi.org/10.17188/1698669
The Materials Project. 2020. "Materials Data on BS4(NF)4 by Materials Project". United States. doi:https://doi.org/10.17188/1698669. https://www.osti.gov/servlets/purl/1698669. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1698669,
title = {Materials Data on BS4(NF)4 by Materials Project},
author = {The Materials Project},
abstractNote = {BF4(NS)4 is Tenorite-like structured and 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 BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is three shorter (1.42 Å) and one longer (1.43 Å) B–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.},
doi = {10.17188/1698669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}