Materials Data on NaAlH4 by Materials Project

doi:10.17188/1199673

Title: Materials Data on NaAlH4 by Materials Project

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Abstract

NaAlH4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.39 Å) and four longer (2.40 Å) Na–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.64 Å. H1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-23704

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; NaAlH4; Al-H-Na

OSTI Identifier:: 1199673

DOI:: https://doi.org/10.17188/1199673

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                    The Materials Project. Materials Data on NaAlH4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199673.

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                    The Materials Project. Materials Data on NaAlH4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199673

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                    The Materials Project. 2020.  
"Materials Data on NaAlH4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199673.  https://www.osti.gov/servlets/purl/1199673. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199673,

  title        = {Materials Data on NaAlH4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaAlH4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are four shorter (2.39 Å) and four longer (2.40 Å) Na–H bond lengths. Al3+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Al–H bond lengths are 1.64 Å. H1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Al3+ atom.},

  doi          = {10.17188/1199673},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199673

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