Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project

doi:10.17188/1263559

Title: Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project

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Abstract

Na4Al3(GeO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Al3(GeO4)3 framework. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3- atom. In the Na4Al3(GeO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.35 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Al–O bond lengths are 1.77 Å. Ge+3.33+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Ge–O bond lengths are 1.76 Å. O2- is bonded in a trigonal planar geometry to one Na1+, one Al3+, and one Ge+3.33+ atom.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-535042

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Al-B-Ge-H-Na-O; Na4Al3Ge3B(HO3)4; crystal structure

OSTI Identifier:: 1263559

DOI:: https://doi.org/10.17188/1263559

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                    Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263559.

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                    Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263559

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                    2020.  
"Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263559.  https://www.osti.gov/servlets/purl/1263559. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1263559,

  title        = {Materials Data on Na4Al3Ge3B(HO3)4 by Materials Project},

  
  abstractNote = {Na4Al3(GeO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Al3(GeO4)3 framework. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four equivalent H1+ atoms. All B–H bond lengths are 1.23 Å. H1+ is bonded in a single-bond geometry to one B3- atom. In the Na4Al3(GeO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.35 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Al–O bond lengths are 1.77 Å. Ge+3.33+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Ge–O bond lengths are 1.76 Å. O2- is bonded in a trigonal planar geometry to one Na1+, one Al3+, and one Ge+3.33+ atom.},

  doi          = {10.17188/1263559},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1263559

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