Materials Data on Ba3BiN by Materials Project

doi:10.17188/1330028

Title: Materials Data on Ba3BiN by Materials Project

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Abstract

BiNBa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Bi and two equivalent N atoms. All Ba–Bi bond lengths are 3.97 Å. Both Ba–N bond lengths are 2.81 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N is bonded to six equivalent Ba atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1013549

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; Ba3BiN; Ba-Bi-N

OSTI Identifier:: 1330028

DOI:: https://doi.org/10.17188/1330028

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                    The Materials Project. Materials Data on Ba3BiN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1330028.

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                    The Materials Project. Materials Data on Ba3BiN by Materials Project.  United States.  doi:https://doi.org/10.17188/1330028

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                    The Materials Project. 2020.  
"Materials Data on Ba3BiN by Materials Project".  United States.  doi:https://doi.org/10.17188/1330028.  https://www.osti.gov/servlets/purl/1330028. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1330028,

  title        = {Materials Data on Ba3BiN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiNBa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Bi and two equivalent N atoms. All Ba–Bi bond lengths are 3.97 Å. Both Ba–N bond lengths are 2.81 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N is bonded to six equivalent Ba atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1330028},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1330028

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