U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnC4(N2O)4 by Materials Project
Abstract
Zn(CN4)2(CO2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of eight formic acid molecules and one Zn(CN4)2 framework. In the Zn(CN4)2 framework, Zn2+ is bonded in a tetrahedral geometry to four equivalent N+1.25- atoms. All Zn–N bond lengths are 2.03 Å. C4+ is bonded in a water-like geometry to two equivalent N+1.25- atoms. Both C–N bond lengths are 1.34 Å. There are two inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a 3-coordinate geometry to one Zn2+, one C4+, and one N+1.25- atom. The N–N bond length is 1.36 Å. In the second N+1.25- site, N+1.25- is bonded in a distorted water-like geometry to two N+1.25- atoms. The N–N bond length is 1.30 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207468
- 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; ZnC4(N2O)4; C-N-O-Zn
- OSTI Identifier:
- 1678976
- DOI:
- https://doi.org/10.17188/1678976
Citation Formats
The Materials Project. Materials Data on ZnC4(N2O)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1678976.
The Materials Project. Materials Data on ZnC4(N2O)4 by Materials Project. United States. doi:https://doi.org/10.17188/1678976
The Materials Project. 2020.
"Materials Data on ZnC4(N2O)4 by Materials Project". United States. doi:https://doi.org/10.17188/1678976. https://www.osti.gov/servlets/purl/1678976. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1678976,
title = {Materials Data on ZnC4(N2O)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(CN4)2(CO2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of eight formic acid molecules and one Zn(CN4)2 framework. In the Zn(CN4)2 framework, Zn2+ is bonded in a tetrahedral geometry to four equivalent N+1.25- atoms. All Zn–N bond lengths are 2.03 Å. C4+ is bonded in a water-like geometry to two equivalent N+1.25- atoms. Both C–N bond lengths are 1.34 Å. There are two inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a 3-coordinate geometry to one Zn2+, one C4+, and one N+1.25- atom. The N–N bond length is 1.36 Å. In the second N+1.25- site, N+1.25- is bonded in a distorted water-like geometry to two N+1.25- atoms. The N–N bond length is 1.30 Å.},
doi = {10.17188/1678976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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