U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn(NCl2)2 by Materials Project
Abstract
(ZnCl2)7ZnNCl4(N2)2(NCl)8(NCl2)3 crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of eight ammonia molecules, sixteen chloramine molecules, six dichloramine molecules, two ZnNCl4 clusters, and fourteen zinc chloride molecules. In each ZnNCl4 cluster, Zn2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.11 Å) and one longer (3.15 Å) Zn–Cl bond lengths. N1+ is bonded in a water-like geometry to two Cl1- atoms. There is one shorter (1.69 Å) and one longer (1.72 Å) N–Cl bond length. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Zn2+ and one N1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179627
- 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; Zn(NCl2)2; Cl-N-Zn
- OSTI Identifier:
- 1723765
- DOI:
- https://doi.org/10.17188/1723765
Citation Formats
The Materials Project. Materials Data on Zn(NCl2)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1723765.
The Materials Project. Materials Data on Zn(NCl2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723765
The Materials Project. 2019.
"Materials Data on Zn(NCl2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723765. https://www.osti.gov/servlets/purl/1723765. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1723765,
title = {Materials Data on Zn(NCl2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(ZnCl2)7ZnNCl4(N2)2(NCl)8(NCl2)3 crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of eight ammonia molecules, sixteen chloramine molecules, six dichloramine molecules, two ZnNCl4 clusters, and fourteen zinc chloride molecules. In each ZnNCl4 cluster, Zn2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.11 Å) and one longer (3.15 Å) Zn–Cl bond lengths. N1+ is bonded in a water-like geometry to two Cl1- atoms. There is one shorter (1.69 Å) and one longer (1.72 Å) N–Cl bond length. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Zn2+ and one N1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.},
doi = {10.17188/1723765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}