Materials Data on Zn2Cl5O2 by Materials Project

doi:10.17188/1695802

Title: Materials Data on Zn2Cl5O2 by Materials Project

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Abstract

Zn2Cl5O2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of eight oxygen molecules and one Zn2Cl5 framework. In the Zn2Cl5 framework, Zn is bonded to four Cl atoms to form corner-sharing ZnCl4 tetrahedra. There are a spread of Zn–Cl bond distances ranging from 2.25–2.32 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Zn atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Zn atom. In the third Cl site, Cl is bonded in a water-like geometry to two equivalent Zn atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1188788

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-O-Zn; Zn2Cl5O2; crystal structure

OSTI Identifier:: 1695802

DOI:: https://doi.org/10.17188/1695802

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                    Materials Data on Zn2Cl5O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695802.

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                    Materials Data on Zn2Cl5O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695802

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                    2020.  
"Materials Data on Zn2Cl5O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695802.  https://www.osti.gov/servlets/purl/1695802. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1695802,

  title        = {Materials Data on Zn2Cl5O2 by Materials Project},

  
  abstractNote = {Zn2Cl5O2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of eight oxygen molecules and one Zn2Cl5 framework. In the Zn2Cl5 framework, Zn is bonded to four Cl atoms to form corner-sharing ZnCl4 tetrahedra. There are a spread of Zn–Cl bond distances ranging from 2.25–2.32 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Zn atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Zn atom. In the third Cl site, Cl is bonded in a water-like geometry to two equivalent Zn atoms.},

  doi          = {10.17188/1695802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695802

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