DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SNO3F by Materials Project

Abstract

N2(SO3F)2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four SO3F clusters. In each SO3F cluster, S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1209092
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; SNO3F; F-N-O-S
OSTI Identifier:
1689071
DOI:
https://doi.org/10.17188/1689071

Citation Formats

The Materials Project. Materials Data on SNO3F by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689071.
The Materials Project. Materials Data on SNO3F by Materials Project. United States. doi:https://doi.org/10.17188/1689071
The Materials Project. 2019. "Materials Data on SNO3F by Materials Project". United States. doi:https://doi.org/10.17188/1689071. https://www.osti.gov/servlets/purl/1689071. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689071,
title = {Materials Data on SNO3F by Materials Project},
author = {The Materials Project},
abstractNote = {N2(SO3F)2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four SO3F clusters. In each SO3F cluster, S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1689071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}