Materials Data on Na4Al3Si3BrO12 by Materials Project

doi:10.17188/1199267

Title: Materials Data on Na4Al3Si3BrO12 by Materials Project

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Abstract

Na4Al3Si3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Br1- atom to form distorted NaBrO3 tetrahedra that share corners with three equivalent NaBrO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.38 Å. The Na–Br bond length is 2.91 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-23147

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; Na4Al3Si3BrO12; Al-Br-Na-O-Si

OSTI Identifier:: 1199267

DOI:: https://doi.org/10.17188/1199267

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                    The Materials Project. Materials Data on Na4Al3Si3BrO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199267.

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                    The Materials Project. Materials Data on Na4Al3Si3BrO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199267

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                    The Materials Project. 2020.  
"Materials Data on Na4Al3Si3BrO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199267.  https://www.osti.gov/servlets/purl/1199267. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1199267,

  title        = {Materials Data on Na4Al3Si3BrO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4Al3Si3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Br1- atom to form distorted NaBrO3 tetrahedra that share corners with three equivalent NaBrO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.38 Å. The Na–Br bond length is 2.91 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.},

  doi          = {10.17188/1199267},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1199267

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