Materials Data on GaBr2 by Materials Project

doi:10.17188/1202506

Title: Materials Data on GaBr2 by Materials Project

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Abstract

GaBr2 crystallizes in the orthorhombic Pnna space group. The structure is one-dimensional and consists of two GaBr2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Ga–Br bond lengths. In the second Ga2+ site, Ga2+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are two shorter (3.05 Å) and two longer (3.17 Å) Ga–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two Ga2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-28384

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; GaBr2; Br-Ga

OSTI Identifier:: 1202506

DOI:: https://doi.org/10.17188/1202506

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                    The Materials Project. Materials Data on GaBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202506.

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                    The Materials Project. Materials Data on GaBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202506

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                    The Materials Project. 2020.  
"Materials Data on GaBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202506.  https://www.osti.gov/servlets/purl/1202506. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1202506,

  title        = {Materials Data on GaBr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaBr2 crystallizes in the orthorhombic Pnna space group. The structure is one-dimensional and consists of two GaBr2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Ga–Br bond lengths. In the second Ga2+ site, Ga2+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are two shorter (3.05 Å) and two longer (3.17 Å) Ga–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two Ga2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms.},

  doi          = {10.17188/1202506},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202506

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