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Title: Materials Data on CsC2S2N(O2F3)2 by Materials Project

Abstract

(Cs(SO2)2)2N2(CF3)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight ammonia molecules; sixteen fluoroform molecules; and two Cs(SO2)2 sheets oriented in the (1, 0, 0) direction. In each Cs(SO2)2 sheet, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.36 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one S2+more » atom.« less

Publication Date:
Other Number(s):
mp-573066
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; CsC2S2N(O2F3)2; C-Cs-F-N-O-S
OSTI Identifier:
1276462
DOI:
10.17188/1276462

Citation Formats

The Materials Project. Materials Data on CsC2S2N(O2F3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276462.
The Materials Project. Materials Data on CsC2S2N(O2F3)2 by Materials Project. United States. doi:10.17188/1276462.
The Materials Project. 2020. "Materials Data on CsC2S2N(O2F3)2 by Materials Project". United States. doi:10.17188/1276462. https://www.osti.gov/servlets/purl/1276462. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276462,
title = {Materials Data on CsC2S2N(O2F3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs(SO2)2)2N2(CF3)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight ammonia molecules; sixteen fluoroform molecules; and two Cs(SO2)2 sheets oriented in the (1, 0, 0) direction. In each Cs(SO2)2 sheet, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.36 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one S2+ atom.},
doi = {10.17188/1276462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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