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

Title: Materials Data on H4CSN2 by Materials Project

Abstract

CN2H4S crystallizes in the orthorhombic Pmc2_1 space group. The structure is zero-dimensional and consists of four thiourea molecules. C4+ is bonded in a distorted trigonal planar geometry to two equivalent N3- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.72 Å. N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. S2- is bonded in a single-bond geometry to one C4+ atom.

Publication Date:
Other Number(s):
mp-721896
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; H4CSN2; C-H-N-S
OSTI Identifier:
1287413
DOI:
10.17188/1287413

Citation Formats

The Materials Project. Materials Data on H4CSN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287413.
The Materials Project. Materials Data on H4CSN2 by Materials Project. United States. doi:10.17188/1287413.
The Materials Project. 2020. "Materials Data on H4CSN2 by Materials Project". United States. doi:10.17188/1287413. https://www.osti.gov/servlets/purl/1287413. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1287413,
title = {Materials Data on H4CSN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CN2H4S crystallizes in the orthorhombic Pmc2_1 space group. The structure is zero-dimensional and consists of four thiourea molecules. C4+ is bonded in a distorted trigonal planar geometry to two equivalent N3- and one S2- atom. Both C–N bond lengths are 1.34 Å. The C–S bond length is 1.72 Å. N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. S2- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1287413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: