U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2H10N12O5 by Materials Project
Abstract
(ZnN3HO)2(N2)2(NH2OH)2H2O crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four hydroxylamine molecules, four nitrogen molecules, two water molecules, and two ZnN3HO clusters. In each ZnN3HO cluster, Zn2+ is bonded in a distorted T-shaped geometry to one N+0.33- and two equivalent O2- atoms. The Zn–N bond length is 1.91 Å. There is one shorter (1.87 Å) and one longer (2.07 Å) Zn–O bond length. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Zn2+ and two N+0.33- atoms. There is one shorter (1.46 Å) and one longer (1.62 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two N+0.33- atoms. The N–N bond length is 1.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two N+0.33- atoms. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-743935
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; H-N-O-Zn; Zn2H10N12O5; crystal structure
- OSTI Identifier:
- 1288141
- DOI:
- https://doi.org/10.17188/1288141
Citation Formats
Materials Data on Zn2H10N12O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288141.
Materials Data on Zn2H10N12O5 by Materials Project. United States. doi:https://doi.org/10.17188/1288141
2020.
"Materials Data on Zn2H10N12O5 by Materials Project". United States. doi:https://doi.org/10.17188/1288141. https://www.osti.gov/servlets/purl/1288141. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1288141,
title = {Materials Data on Zn2H10N12O5 by Materials Project},
abstractNote = {(ZnN3HO)2(N2)2(NH2OH)2H2O crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four hydroxylamine molecules, four nitrogen molecules, two water molecules, and two ZnN3HO clusters. In each ZnN3HO cluster, Zn2+ is bonded in a distorted T-shaped geometry to one N+0.33- and two equivalent O2- atoms. The Zn–N bond length is 1.91 Å. There is one shorter (1.87 Å) and one longer (2.07 Å) Zn–O bond length. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Zn2+ and two N+0.33- atoms. There is one shorter (1.46 Å) and one longer (1.62 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two N+0.33- atoms. The N–N bond length is 1.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two N+0.33- atoms. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one H1+ atom.},
doi = {10.17188/1288141},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}