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Title: Materials Data on CsC4S4N8O2F by Materials Project

Abstract

CsC2N4S2F(CN2)2(SO)2 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of eight formamidine molecules; eight sulfur monoxide molecules; and two CsC2N4S2F sheets oriented in the (0, 0, 1) direction. In each CsC2N4S2F sheet, Cs1+ is bonded in a 8-coordinate geometry to four equivalent N+0.50- atoms. All Cs–N bond lengths are 3.37 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N+0.50- and one F1- atom. Both C–N bond lengths are 1.30 Å. The C–F bond length is 1.65 Å. N+0.50- is bonded in a 1-coordinate geometry to one Cs1+, one C4+, and one S2- atom. The N–S bond length is 1.80 Å. S2- is bonded in a distorted L-shaped geometry to two equivalent N+0.50- atoms. F1- is bonded in a linear geometry to two equivalent C4+ atoms.

Publication Date:
Other Number(s):
mp-1181828
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; CsC4S4N8O2F; C-Cs-F-N-O-S
OSTI Identifier:
1747055
DOI:
https://doi.org/10.17188/1747055

Citation Formats

The Materials Project. Materials Data on CsC4S4N8O2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747055.
The Materials Project. Materials Data on CsC4S4N8O2F by Materials Project. United States. doi:https://doi.org/10.17188/1747055
The Materials Project. 2020. "Materials Data on CsC4S4N8O2F by Materials Project". United States. doi:https://doi.org/10.17188/1747055. https://www.osti.gov/servlets/purl/1747055. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1747055,
title = {Materials Data on CsC4S4N8O2F by Materials Project},
author = {The Materials Project},
abstractNote = {CsC2N4S2F(CN2)2(SO)2 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of eight formamidine molecules; eight sulfur monoxide molecules; and two CsC2N4S2F sheets oriented in the (0, 0, 1) direction. In each CsC2N4S2F sheet, Cs1+ is bonded in a 8-coordinate geometry to four equivalent N+0.50- atoms. All Cs–N bond lengths are 3.37 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N+0.50- and one F1- atom. Both C–N bond lengths are 1.30 Å. The C–F bond length is 1.65 Å. N+0.50- is bonded in a 1-coordinate geometry to one Cs1+, one C4+, and one S2- atom. The N–S bond length is 1.80 Å. S2- is bonded in a distorted L-shaped geometry to two equivalent N+0.50- atoms. F1- is bonded in a linear geometry to two equivalent C4+ atoms.},
doi = {10.17188/1747055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}