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Title: Materials Data on S3N2O3F by Materials Project

Abstract

(NS)2SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SO3F clusters. In each SO3F cluster, S+3.33+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. F1- is bonded in a single-bond geometry to one S+3.33+ atom.

Publication Date:
Other Number(s):
mp-1219531
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; S3N2O3F; F-N-O-S
OSTI Identifier:
1676861
DOI:
https://doi.org/10.17188/1676861

Citation Formats

The Materials Project. Materials Data on S3N2O3F by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676861.
The Materials Project. Materials Data on S3N2O3F by Materials Project. United States. doi:https://doi.org/10.17188/1676861
The Materials Project. 2019. "Materials Data on S3N2O3F by Materials Project". United States. doi:https://doi.org/10.17188/1676861. https://www.osti.gov/servlets/purl/1676861. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676861,
title = {Materials Data on S3N2O3F by Materials Project},
author = {The Materials Project},
abstractNote = {(NS)2SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SO3F clusters. In each SO3F cluster, S+3.33+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. F1- is bonded in a single-bond geometry to one S+3.33+ atom.},
doi = {10.17188/1676861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}