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Title: Materials Data on SnC2(SN)2 by Materials Project

Abstract

SnC2(NS)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two diisothiocyanatotin molecules. Sn2+ is bonded in a distorted L-shaped geometry to two N3- atoms. There are one shorter (2.23 Å) and one longer (2.30 Å) Sn–N bond lengths. 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 1.18 Å. The C–S bond length is 1.62 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Sn2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometrymore » to one C4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-620404
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; SnC2(SN)2; C-N-S-Sn
OSTI Identifier:
1278026
DOI:
10.17188/1278026

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SnC2(SN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278026.
Persson, Kristin, & Project, Materials. Materials Data on SnC2(SN)2 by Materials Project. United States. doi:10.17188/1278026.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SnC2(SN)2 by Materials Project". United States. doi:10.17188/1278026. https://www.osti.gov/servlets/purl/1278026. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1278026,
title = {Materials Data on SnC2(SN)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SnC2(NS)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two diisothiocyanatotin molecules. Sn2+ is bonded in a distorted L-shaped geometry to two N3- atoms. There are one shorter (2.23 Å) and one longer (2.30 Å) Sn–N bond lengths. 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 1.18 Å. The C–S bond length is 1.62 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Sn2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one C4+ atom.},
doi = {10.17188/1278026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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