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Title: Materials Data on SNF3 by Materials Project

Abstract

NSF3 is Cubane-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four amino-sulfur trifluoride molecules. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a distorted trigonal pyramidal geometry to one N5+ and three F1- atoms. All S–F bond lengths are 1.59 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.

Publication Date:
Other Number(s):
mp-1209117
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; SNF3; F-N-S
OSTI Identifier:
1699355
DOI:
https://doi.org/10.17188/1699355

Citation Formats

The Materials Project. Materials Data on SNF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699355.
The Materials Project. Materials Data on SNF3 by Materials Project. United States. doi:https://doi.org/10.17188/1699355
The Materials Project. 2020. "Materials Data on SNF3 by Materials Project". United States. doi:https://doi.org/10.17188/1699355. https://www.osti.gov/servlets/purl/1699355. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1699355,
title = {Materials Data on SNF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NSF3 is Cubane-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four amino-sulfur trifluoride molecules. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a distorted trigonal pyramidal geometry to one N5+ and three F1- atoms. All S–F bond lengths are 1.59 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1699355},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}