Materials Data on BaLa2O4 by Materials Project

doi:10.17188/1290084

Title: Materials Data on BaLa2O4 by Materials Project

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Abstract

BaLa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ba–O bond lengths are 2.62 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.45 Å) and four longer (2.46 Å) La–O bond lengths. O2- is bonded to one Ba2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OBaLa3 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-755558

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; BaLa2O4; Ba-La-O

OSTI Identifier:: 1290084

DOI:: https://doi.org/10.17188/1290084

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                    The Materials Project. Materials Data on BaLa2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290084.

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                    The Materials Project. Materials Data on BaLa2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290084

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                    The Materials Project. 2020.  
"Materials Data on BaLa2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290084.  https://www.osti.gov/servlets/purl/1290084. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1290084,

  title        = {Materials Data on BaLa2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaLa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ba–O bond lengths are 2.62 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.45 Å) and four longer (2.46 Å) La–O bond lengths. O2- is bonded to one Ba2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OBaLa3 tetrahedra.},

  doi          = {10.17188/1290084},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290084

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