Materials Data on Na4Ga3Ge3B(HO3)4 by Materials Project

doi:10.17188/1749579

Title: Materials Data on Na4Ga3Ge3B(HO3)4 by Materials Project

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Abstract

Na4Ga3(GeO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Ga3(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 Na4Ga3(GeO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Ga–O bond lengths are 1.86 Å. Ge+3.33+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Ge–O bond lengths are 1.77 Å. O2- is bonded in a trigonal planar geometry to one Na1+, one Ga3+, and one Ge+3.33+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1203580

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; Na4Ga3Ge3B(HO3)4; B-Ga-Ge-H-Na-O

OSTI Identifier:: 1749579

DOI:: https://doi.org/10.17188/1749579

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                    The Materials Project. Materials Data on Na4Ga3Ge3B(HO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749579.

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                    The Materials Project. Materials Data on Na4Ga3Ge3B(HO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749579

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                    The Materials Project. 2020.  
"Materials Data on Na4Ga3Ge3B(HO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749579.  https://www.osti.gov/servlets/purl/1749579. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749579,

  title        = {Materials Data on Na4Ga3Ge3B(HO3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4Ga3(GeO4)3BH4 crystallizes in the cubic P-43n space group. The structure is three-dimensional and consists of two BH4 clusters and one Na4Ga3(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 Na4Ga3(GeO4)3 framework, Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Ga–O bond lengths are 1.86 Å. Ge+3.33+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent GaO4 tetrahedra. All Ge–O bond lengths are 1.77 Å. O2- is bonded in a trigonal planar geometry to one Na1+, one Ga3+, and one Ge+3.33+ atom.},

  doi          = {10.17188/1749579},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749579

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