Materials Data on ZnCoH18N6Cl5 by Materials Project

doi:10.17188/1286283

Title: Materials Data on ZnCoH18N6Cl5 by Materials Project

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Abstract

(Co(NH3)6)2(ZnCl4)2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, four hydrochloric acid molecules, and four ZnCl4 clusters. 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 2.26–2.40 Å. There are three 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.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-706995

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; ZnCoH18N6Cl5; Cl-Co-H-N-Zn

OSTI Identifier:: 1286283

DOI:: https://doi.org/10.17188/1286283

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                    The Materials Project. Materials Data on ZnCoH18N6Cl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286283.

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                    The Materials Project. Materials Data on ZnCoH18N6Cl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286283

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                    The Materials Project. 2020.  
"Materials Data on ZnCoH18N6Cl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286283.  https://www.osti.gov/servlets/purl/1286283. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1286283,

  title        = {Materials Data on ZnCoH18N6Cl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Co(NH3)6)2(ZnCl4)2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, four hydrochloric acid molecules, and four ZnCl4 clusters. 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 2.26–2.40 Å. There are three 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.},

  doi          = {10.17188/1286283},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286283

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