Materials Data on Ba2LaTaO6 by Materials Project

doi:10.17188/1189353

Title: Materials Data on Ba2LaTaO6 by Materials Project

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Abstract

Ba2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.11 Å. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–22°. All La–O bond lengths are 2.40 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–22°. All Ta–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one La3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one La3+, and one Ta5+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-13055

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; Ba2LaTaO6; Ba-La-O-Ta

OSTI Identifier:: 1189353

DOI:: https://doi.org/10.17188/1189353

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                    The Materials Project. Materials Data on Ba2LaTaO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189353.

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                    The Materials Project. Materials Data on Ba2LaTaO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189353

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                    The Materials Project. 2020.  
"Materials Data on Ba2LaTaO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189353.  https://www.osti.gov/servlets/purl/1189353. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189353,

  title        = {Materials Data on Ba2LaTaO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.11 Å. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–22°. All La–O bond lengths are 2.40 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–22°. All Ta–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one La3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one La3+, and one Ta5+ atom.},

  doi          = {10.17188/1189353},

  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/10.17188/1189353

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