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Title: Materials Data on S4N3O2F by Materials Project

Abstract

N3S4O2F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N3S4O2F clusters. there are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.61 Å) N–S bond length. In the second N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the third N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N+4.33+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N+4.33+ atoms. In the third S2- site, S2- is bonded in a tetrahedral geometry to one N+4.33+, two O2-, and one F1- atom. There is one shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. The S–F bond length ismore » 1.61 Å. In the fourth S2- site, S2- is bonded in a single-bond geometry to one N+4.33+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. F1- is bonded in a single-bond geometry to one S2- atom.« less

Publication Date:
Other Number(s):
mp-556512
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; S4N3O2F; F-N-O-S
OSTI Identifier:
1269386
DOI:
10.17188/1269386

Citation Formats

The Materials Project. Materials Data on S4N3O2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269386.
The Materials Project. Materials Data on S4N3O2F by Materials Project. United States. doi:10.17188/1269386.
The Materials Project. 2020. "Materials Data on S4N3O2F by Materials Project". United States. doi:10.17188/1269386. https://www.osti.gov/servlets/purl/1269386. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1269386,
title = {Materials Data on S4N3O2F by Materials Project},
author = {The Materials Project},
abstractNote = {N3S4O2F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N3S4O2F clusters. there are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.61 Å) N–S bond length. In the second N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the third N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N+4.33+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N+4.33+ atoms. In the third S2- site, S2- is bonded in a tetrahedral geometry to one N+4.33+, two O2-, and one F1- atom. There is one shorter (1.43 Å) and one longer (1.44 Å) S–O bond length. The S–F bond length is 1.61 Å. In the fourth S2- site, S2- is bonded in a single-bond geometry to one N+4.33+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. F1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1269386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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