Materials Data on H2CN2 by Materials Project
Abstract
CN2H2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight cyanamide molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. 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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-703527
- 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; H2CN2; C-H-N
- OSTI Identifier:
- 1285640
- DOI:
- https://doi.org/10.17188/1285640
Citation Formats
The Materials Project. Materials Data on H2CN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285640.
The Materials Project. Materials Data on H2CN2 by Materials Project. United States. doi:https://doi.org/10.17188/1285640
The Materials Project. 2020.
"Materials Data on H2CN2 by Materials Project". United States. doi:https://doi.org/10.17188/1285640. https://www.osti.gov/servlets/purl/1285640. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1285640,
title = {Materials Data on H2CN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CN2H2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight cyanamide molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. 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.},
doi = {10.17188/1285640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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