Materials Data on Na4Ga3Si3ClO12 by Materials Project

doi:10.17188/1199643

Title: Materials Data on Na4Ga3Si3ClO12 by Materials Project

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Abstract

Na4Ga3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Cl1- atom to form NaClO3 tetrahedra that share corners with three equivalent NaClO3 tetrahedra, corners with three equivalent GaO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.34 Å. The Na–Cl bond length is 2.72 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.85 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.65 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-23656

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; Na4Ga3Si3ClO12; Cl-Ga-Na-O-Si

OSTI Identifier:: 1199643

DOI:: https://doi.org/10.17188/1199643

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                    The Materials Project. Materials Data on Na4Ga3Si3ClO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199643.

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                    The Materials Project. Materials Data on Na4Ga3Si3ClO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199643

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                    The Materials Project. 2020.  
"Materials Data on Na4Ga3Si3ClO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199643.  https://www.osti.gov/servlets/purl/1199643. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1199643,

  title        = {Materials Data on Na4Ga3Si3ClO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4Ga3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Cl1- atom to form NaClO3 tetrahedra that share corners with three equivalent NaClO3 tetrahedra, corners with three equivalent GaO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.34 Å. The Na–Cl bond length is 2.72 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.85 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.65 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.},

  doi          = {10.17188/1199643},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199643

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