Materials Data on ZrBr3 by Materials Project

doi:10.17188/1199362

Title: Materials Data on ZrBr3 by Materials Project

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Abstract

ZrBr3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrBr3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Br1- atoms to form face-sharing ZrBr6 octahedra. All Zr–Br bond lengths are 2.72 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-23247

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; Br-Zr; ZrBr3; crystal structure

OSTI Identifier:: 1199362

DOI:: https://doi.org/10.17188/1199362

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                    Materials Data on ZrBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199362.

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                    Materials Data on ZrBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199362

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                    2020.  
"Materials Data on ZrBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199362.  https://www.osti.gov/servlets/purl/1199362. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1199362,

  title        = {Materials Data on ZrBr3 by Materials Project},

  
  abstractNote = {ZrBr3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrBr3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Br1- atoms to form face-sharing ZrBr6 octahedra. All Zr–Br bond lengths are 2.72 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.},

  doi          = {10.17188/1199362},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199362

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