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Title: Materials Data on S2N(O2F)2 by Materials Project

Abstract

(FSO2)2N crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two ac1nqyjp molecules. N2- is bonded in a bent 120 degrees geometry to two S6+ atoms. There is one shorter (1.63 Å) and one longer (1.68 Å) N–S bond length. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. There is one shorter (1.42 Å) and one longer (1.44 Å) S–O bond length. The S–F bond length is 1.58 Å. In the second S6+ site, S6+ is bonded to one N2-, two O2-, and one F1- atom to form distorted corner-sharing SNO2F tetrahedra. Both S–O bond lengths are 1.42 Å. The S–F bond length is 1.59 Å. There are four 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. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+more » atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S6+ atom.« less

Publication Date:
Other Number(s):
mp-1188569
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; S2N(O2F)2; F-N-O-S
OSTI Identifier:
1726870
DOI:
https://doi.org/10.17188/1726870

Citation Formats

The Materials Project. Materials Data on S2N(O2F)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1726870.
The Materials Project. Materials Data on S2N(O2F)2 by Materials Project. United States. doi:https://doi.org/10.17188/1726870
The Materials Project. 2019. "Materials Data on S2N(O2F)2 by Materials Project". United States. doi:https://doi.org/10.17188/1726870. https://www.osti.gov/servlets/purl/1726870. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1726870,
title = {Materials Data on S2N(O2F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(FSO2)2N crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two ac1nqyjp molecules. N2- is bonded in a bent 120 degrees geometry to two S6+ atoms. There is one shorter (1.63 Å) and one longer (1.68 Å) N–S bond length. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. There is one shorter (1.42 Å) and one longer (1.44 Å) S–O bond length. The S–F bond length is 1.58 Å. In the second S6+ site, S6+ is bonded to one N2-, two O2-, and one F1- atom to form distorted corner-sharing SNO2F tetrahedra. Both S–O bond lengths are 1.42 Å. The S–F bond length is 1.59 Å. There are four 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. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1726870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}