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Title: Materials Data on CoH6C2S2N2O3 by Materials Project

Abstract

CoC2H4S2(NO)2H2O crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four water molecules and two CoC2H4S2(NO)2 sheets oriented in the (1, 0, 0) direction. In each CoC2H4S2(NO)2 sheet, Co2+ is bonded in a distorted octahedral geometry to two equivalent N3-, two equivalent S2-, and two equivalent O2- atoms. Both Co–N bond lengths are 2.01 Å. Both Co–S bond lengths are 2.60 Å. Both Co–O bond lengths are 2.10 Å. 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. N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a distorted water-like geometry to one Co2+ and one C4+ atom. O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms.

Publication Date:
Other Number(s):
mp-743619
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; CoH6C2S2N2O3; C-Co-H-N-O-S
OSTI Identifier:
1288034
DOI:
https://doi.org/10.17188/1288034

Citation Formats

The Materials Project. Materials Data on CoH6C2S2N2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288034.
The Materials Project. Materials Data on CoH6C2S2N2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1288034
The Materials Project. 2020. "Materials Data on CoH6C2S2N2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1288034. https://www.osti.gov/servlets/purl/1288034. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1288034,
title = {Materials Data on CoH6C2S2N2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {CoC2H4S2(NO)2H2O crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four water molecules and two CoC2H4S2(NO)2 sheets oriented in the (1, 0, 0) direction. In each CoC2H4S2(NO)2 sheet, Co2+ is bonded in a distorted octahedral geometry to two equivalent N3-, two equivalent S2-, and two equivalent O2- atoms. Both Co–N bond lengths are 2.01 Å. Both Co–S bond lengths are 2.60 Å. Both Co–O bond lengths are 2.10 Å. 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. N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S2- is bonded in a distorted water-like geometry to one Co2+ and one C4+ atom. O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms.},
doi = {10.17188/1288034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}