Materials Data on NaBrO3 by Materials Project

doi:10.17188/1199439

Title: Materials Data on NaBrO3 by Materials Project

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Abstract

NaBrO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are three shorter (2.45 Å) and three longer (2.54 Å) Na–O bond lengths. O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Br5+ atom. The O–Br bond length is 1.69 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-23339

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; NaBrO3; Br-Na-O

OSTI Identifier:: 1199439

DOI:: https://doi.org/10.17188/1199439

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                    The Materials Project. Materials Data on NaBrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199439.

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                    The Materials Project. Materials Data on NaBrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199439

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                    The Materials Project. 2020.  
"Materials Data on NaBrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199439.  https://www.osti.gov/servlets/purl/1199439. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1199439,

  title        = {Materials Data on NaBrO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaBrO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are three shorter (2.45 Å) and three longer (2.54 Å) Na–O bond lengths. O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Br5+ atom. The O–Br bond length is 1.69 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.},

  doi          = {10.17188/1199439},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199439

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