Materials Data on GaBH6 by Materials Project

doi:10.17188/1204567

Title: Materials Data on GaBH6 by Materials Project

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Abstract

GaH2BH4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve ac1laync molecules and twelve BH4 clusters. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four H atoms. There is two shorter (1.22 Å) and two longer (1.25 Å) B–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one B3- atom. In the second H site, H is bonded in a single-bond geometry to one B3- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-30150

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; GaBH6; B-Ga-H

OSTI Identifier:: 1204567

DOI:: https://doi.org/10.17188/1204567

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                    The Materials Project. Materials Data on GaBH6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204567.

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                    The Materials Project. Materials Data on GaBH6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204567

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                    The Materials Project. 2020.  
"Materials Data on GaBH6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204567.  https://www.osti.gov/servlets/purl/1204567. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1204567,

  title        = {Materials Data on GaBH6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaH2BH4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve ac1laync molecules and twelve BH4 clusters. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four H atoms. There is two shorter (1.22 Å) and two longer (1.25 Å) B–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one B3- atom. In the second H site, H is bonded in a single-bond geometry to one B3- atom.},

  doi          = {10.17188/1204567},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204567

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