Materials Data on GaBr3 by Materials Project

doi:10.17188/1205293

Title: Materials Data on GaBr3 by Materials Project

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Abstract

GaBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two GaBr3 clusters. Ga3+ is bonded to four Br1- atoms to form edge-sharing GaBr4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.50 Å) Ga–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-30953

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; GaBr3; Br-Ga

OSTI Identifier:: 1205293

DOI:: https://doi.org/10.17188/1205293

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                    The Materials Project. Materials Data on GaBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205293.

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                    The Materials Project. Materials Data on GaBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205293

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                    The Materials Project. 2020.  
"Materials Data on GaBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205293.  https://www.osti.gov/servlets/purl/1205293. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1205293,

  title        = {Materials Data on GaBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two GaBr3 clusters. Ga3+ is bonded to four Br1- atoms to form edge-sharing GaBr4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.50 Å) Ga–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms.},

  doi          = {10.17188/1205293},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205293

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