Materials Data on Zn2H18Cl4O9 by Materials Project

doi:10.17188/1732307

Title: Materials Data on Zn2H18Cl4O9 by Materials Project

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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:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Zn2H18Cl4O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732307.

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                    The Materials Project. Materials Data on Zn2H18Cl4O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732307

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                    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

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@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         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732307

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