Materials Data on BaZnO3 by Materials Project

doi:10.17188/1759200

Title: Materials Data on BaZnO3 by Materials Project

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Abstract

BaZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Ba–O bond lengths are 2.91 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.06 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1183405

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; BaZnO3; Ba-O-Zn

OSTI Identifier:: 1759200

DOI:: https://doi.org/10.17188/1759200

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                    The Materials Project. Materials Data on BaZnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759200.

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                    The Materials Project. Materials Data on BaZnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759200

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                    The Materials Project. 2020.  
"Materials Data on BaZnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759200.  https://www.osti.gov/servlets/purl/1759200. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759200,

  title        = {Materials Data on BaZnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Ba–O bond lengths are 2.91 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.06 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Zn atoms.},

  doi          = {10.17188/1759200},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1759200

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