DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on C2SNOF by Materials Project

Abstract

C2NSOF crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four fluorocarbonyl thiocyanate molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. In the second C4+ site, C4+ is bonded in a distorted bent 120 degrees geometry to one S2-, one O2-, and one F1- atom. The C–S bond length is 1.78 Å. The C–O bond length is 1.19 Å. The C–F bond length is 1.36 Å. N3- is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted trigonal bipyramidal geometry to two C4+ atoms. O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.

Publication Date:
Other Number(s):
mp-1191868
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; C2SNOF; C-F-N-O-S
OSTI Identifier:
1747797
DOI:
https://doi.org/10.17188/1747797

Citation Formats

The Materials Project. Materials Data on C2SNOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747797.
The Materials Project. Materials Data on C2SNOF by Materials Project. United States. doi:https://doi.org/10.17188/1747797
The Materials Project. 2020. "Materials Data on C2SNOF by Materials Project". United States. doi:https://doi.org/10.17188/1747797. https://www.osti.gov/servlets/purl/1747797. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747797,
title = {Materials Data on C2SNOF by Materials Project},
author = {The Materials Project},
abstractNote = {C2NSOF crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four fluorocarbonyl thiocyanate molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. In the second C4+ site, C4+ is bonded in a distorted bent 120 degrees geometry to one S2-, one O2-, and one F1- atom. The C–S bond length is 1.78 Å. The C–O bond length is 1.19 Å. The C–F bond length is 1.36 Å. N3- is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted trigonal bipyramidal geometry to two C4+ atoms. O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1747797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}