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Title: Materials Data on SnCS(NCl)2 by Materials Project

Abstract

SnCS(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SnCS(NCl)2 clusters. Sn4+ is bonded in a 2-coordinate geometry to one S2- and two Cl1- atoms. The Sn–S bond length is 3.07 Å. There are one shorter (2.46 Å) and one longer (2.51 Å) Sn–Cl bond lengths. C4+ is bonded in a 3-coordinate geometry to two N2- and one S2- atom. Both C–N bond lengths are 1.39 Å. The C–S bond length is 1.61 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. The N–N bond length is 1.30 Å. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. S2- is bonded in a 2-coordinate geometry to one Sn4+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1179427
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnCS(NCl)2; C-Cl-N-S-Sn
OSTI Identifier:
1731834
DOI:
https://doi.org/10.17188/1731834

Citation Formats

The Materials Project. Materials Data on SnCS(NCl)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731834.
The Materials Project. Materials Data on SnCS(NCl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1731834
The Materials Project. 2019. "Materials Data on SnCS(NCl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1731834. https://www.osti.gov/servlets/purl/1731834. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1731834,
title = {Materials Data on SnCS(NCl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SnCS(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SnCS(NCl)2 clusters. Sn4+ is bonded in a 2-coordinate geometry to one S2- and two Cl1- atoms. The Sn–S bond length is 3.07 Å. There are one shorter (2.46 Å) and one longer (2.51 Å) Sn–Cl bond lengths. C4+ is bonded in a 3-coordinate geometry to two N2- and one S2- atom. Both C–N bond lengths are 1.39 Å. The C–S bond length is 1.61 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. The N–N bond length is 1.30 Å. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. S2- is bonded in a 2-coordinate geometry to one Sn4+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.},
doi = {10.17188/1731834},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}