Materials Data on Ba3NaBiO6 by Materials Project

doi:10.17188/1269284

Title: Materials Data on Ba3NaBiO6 by Materials Project

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Abstract

NaBa3BiO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.53 Å. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.09 Å. Bi5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.17 Å. O2- is bonded to one Na1+, four equivalent Ba2+, and one Bi5+ atom to form a mixture of distorted edge, face, and corner-sharing OBa4NaBi octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-556316

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; Ba3NaBiO6; Ba-Bi-Na-O

OSTI Identifier:: 1269284

DOI:: https://doi.org/10.17188/1269284

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                    The Materials Project. Materials Data on Ba3NaBiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269284.

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                    The Materials Project. Materials Data on Ba3NaBiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269284

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                    The Materials Project. 2020.  
"Materials Data on Ba3NaBiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269284.  https://www.osti.gov/servlets/purl/1269284. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1269284,

  title        = {Materials Data on Ba3NaBiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaBa3BiO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.53 Å. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.09 Å. Bi5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.17 Å. O2- is bonded to one Na1+, four equivalent Ba2+, and one Bi5+ atom to form a mixture of distorted edge, face, and corner-sharing OBa4NaBi octahedra. The corner-sharing octahedra tilt angles range from 0–63°.},

  doi          = {10.17188/1269284},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269284

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