Materials Data on ZnBr2 by Materials Project

doi:10.17188/1280728

Title: Materials Data on ZnBr2 by Materials Project

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Abstract

ZnBr2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two ZnBr2 frameworks. Zn2+ is bonded to four Br1- atoms to form corner-sharing ZnBr4 tetrahedra. There are a spread of Zn–Br bond distances ranging from 2.44–2.46 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms. In the third Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-647579

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; ZnBr2; Br-Zn

OSTI Identifier:: 1280728

DOI:: https://doi.org/10.17188/1280728

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                    The Materials Project. Materials Data on ZnBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280728.

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                    The Materials Project. Materials Data on ZnBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280728

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                    The Materials Project. 2020.  
"Materials Data on ZnBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280728.  https://www.osti.gov/servlets/purl/1280728. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1280728,

  title        = {Materials Data on ZnBr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnBr2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two ZnBr2 frameworks. Zn2+ is bonded to four Br1- atoms to form corner-sharing ZnBr4 tetrahedra. There are a spread of Zn–Br bond distances ranging from 2.44–2.46 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the second Br1- site, Br1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms. In the third Br1- site, Br1- is bonded in a water-like geometry to two equivalent Zn2+ atoms.},

  doi          = {10.17188/1280728},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280728

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