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Title: Materials Data on Zn2H18Cl4O9 by Materials Project

Abstract

Zn(H2O)6ZnCl4(H2O)3 is alpha Pu-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of twelve water molecules, four ZnCl4 clusters, and four zinc hexahydrate molecules. In each ZnCl4 cluster, Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.28–2.31 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ 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-1202834
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; Zn2H18Cl4O9; Cl-H-O-Zn
OSTI Identifier:
1732307
DOI:
https://doi.org/10.17188/1732307

Citation Formats

The Materials Project. Materials Data on Zn2H18Cl4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732307.
The Materials Project. Materials Data on Zn2H18Cl4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1732307
The Materials Project. 2020. "Materials Data on Zn2H18Cl4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1732307. https://www.osti.gov/servlets/purl/1732307. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732307,
title = {Materials Data on Zn2H18Cl4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(H2O)6ZnCl4(H2O)3 is alpha Pu-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of twelve water molecules, four ZnCl4 clusters, and four zinc hexahydrate molecules. In each ZnCl4 cluster, Zn2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.28–2.31 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ 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 = {10.17188/1732307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}