Materials Data on BaAlSiH by Materials Project

doi:10.17188/1276085

Title: Materials Data on BaAlSiH by Materials Project

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Abstract

BaAlSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- and three equivalent H1- atoms. All Ba–Si bond lengths are 3.47 Å. All Ba–H bond lengths are 2.60 Å. Al3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Al–Si bond lengths are 2.54 Å. The Al–H bond length is 1.74 Å. Si4- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and three equivalent Al3+ atoms. H1- is bonded to three equivalent Ba2+ and one Al3+ atom to form corner-sharing HBa3Al tetrahedra.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-571093

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; BaAlSiH; Al-Ba-H-Si

OSTI Identifier:: 1276085

DOI:: https://doi.org/10.17188/1276085

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                    The Materials Project. Materials Data on BaAlSiH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276085.

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                    The Materials Project. Materials Data on BaAlSiH by Materials Project.  United States.  doi:https://doi.org/10.17188/1276085

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                    The Materials Project. 2020.  
"Materials Data on BaAlSiH by Materials Project".  United States.  doi:https://doi.org/10.17188/1276085.  https://www.osti.gov/servlets/purl/1276085. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1276085,

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

  author       = {The Materials Project},

  abstractNote = {BaAlSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- and three equivalent H1- atoms. All Ba–Si bond lengths are 3.47 Å. All Ba–H bond lengths are 2.60 Å. Al3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Al–Si bond lengths are 2.54 Å. The Al–H bond length is 1.74 Å. Si4- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and three equivalent Al3+ atoms. H1- is bonded to three equivalent Ba2+ and one Al3+ atom to form corner-sharing HBa3Al tetrahedra.},

  doi          = {10.17188/1276085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276085

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