Materials Data on ZnClO by Materials Project

doi:10.17188/1698853

Title: Materials Data on ZnClO by Materials Project

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Abstract

ZnOCl crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two ZnOCl sheets oriented in the (0, 0, 1) direction. Zn is bonded to three equivalent O and three equivalent Cl atoms to form distorted edge-sharing ZnCl3O3 octahedra. There are one shorter (2.00 Å) and two longer (2.01 Å) Zn–O bond lengths. There are a spread of Zn–Cl bond distances ranging from 2.38–2.73 Å. O is bonded in a trigonal non-coplanar geometry to three equivalent Zn atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Zn atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1192234

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; ZnClO; crystal structure

OSTI Identifier:: 1698853

DOI:: https://doi.org/10.17188/1698853

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                    Materials Data on ZnClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698853.

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                    Materials Data on ZnClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1698853

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                    2020.  
"Materials Data on ZnClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1698853.  https://www.osti.gov/servlets/purl/1698853. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1698853,

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

  
  abstractNote = {ZnOCl crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two ZnOCl sheets oriented in the (0, 0, 1) direction. Zn is bonded to three equivalent O and three equivalent Cl atoms to form distorted edge-sharing ZnCl3O3 octahedra. There are one shorter (2.00 Å) and two longer (2.01 Å) Zn–O bond lengths. There are a spread of Zn–Cl bond distances ranging from 2.38–2.73 Å. O is bonded in a trigonal non-coplanar geometry to three equivalent Zn atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Zn atoms.},

  doi          = {10.17188/1698853},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698853

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