Materials Data on BaLiO3 by Materials Project

doi:10.17188/1687078

Title: Materials Data on BaLiO3 by Materials Project

Dataset

Abstract

LiBaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.04 Å. 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 LiO6 octahedra. All Ba–O bond lengths are 2.89 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Ba atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183284

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; BaLiO3; Ba-Li-O

OSTI Identifier:: 1687078

DOI:: https://doi.org/10.17188/1687078

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                    The Materials Project. Materials Data on BaLiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687078.

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                    The Materials Project. Materials Data on BaLiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687078

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                    The Materials Project. 2020.  
"Materials Data on BaLiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687078.  https://www.osti.gov/servlets/purl/1687078. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1687078,

  title        = {Materials Data on BaLiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.04 Å. 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 LiO6 octahedra. All Ba–O bond lengths are 2.89 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Ba atoms.},

  doi          = {10.17188/1687078},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687078

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