Materials Data on NaBiO3 by Materials Project

doi:10.17188/1199199

Title: Materials Data on NaBiO3 by Materials Project

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Abstract

NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-23054

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; NaBiO3; Bi-Na-O

OSTI Identifier:: 1199199

DOI:: https://doi.org/10.17188/1199199

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                    The Materials Project. Materials Data on NaBiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199199.

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                    The Materials Project. Materials Data on NaBiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199199

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                    The Materials Project. 2020.  
"Materials Data on NaBiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199199.  https://www.osti.gov/servlets/purl/1199199. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199199,

  title        = {Materials Data on NaBiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.},

  doi          = {10.17188/1199199},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199199

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