Materials Data on Na2ZnH3Cl4 by Materials Project

doi:10.17188/1733992

Title: Materials Data on Na2ZnH3Cl4 by Materials Project

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Abstract

(Na2ZnCl4)2(H2)3 crystallizes in the trigonal P31m space group. The structure is two-dimensional and consists of three hydrogen molecules and one Na2ZnCl4 sheet oriented in the (0, 0, 1) direction. In the Na2ZnCl4 sheet, Na is bonded in a trigonal non-coplanar geometry to three equivalent Cl atoms. All Na–Cl bond lengths are 2.65 Å. Zn is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.22 Å) and three longer (2.33 Å) Zn–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Zn atom. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to two equivalent Na and one Zn atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1210311

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; Na2ZnH3Cl4; Cl-H-Na-Zn

OSTI Identifier:: 1733992

DOI:: https://doi.org/10.17188/1733992

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                    The Materials Project. Materials Data on Na2ZnH3Cl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733992.

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                    The Materials Project. Materials Data on Na2ZnH3Cl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733992

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                    The Materials Project. 2020.  
"Materials Data on Na2ZnH3Cl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733992.  https://www.osti.gov/servlets/purl/1733992. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733992,

  title        = {Materials Data on Na2ZnH3Cl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Na2ZnCl4)2(H2)3 crystallizes in the trigonal P31m space group. The structure is two-dimensional and consists of three hydrogen molecules and one Na2ZnCl4 sheet oriented in the (0, 0, 1) direction. In the Na2ZnCl4 sheet, Na is bonded in a trigonal non-coplanar geometry to three equivalent Cl atoms. All Na–Cl bond lengths are 2.65 Å. Zn is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.22 Å) and three longer (2.33 Å) Zn–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Zn atom. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to two equivalent Na and one Zn atom.},

  doi          = {10.17188/1733992},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733992

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