Materials Data on Ba2DyTaO6 by Materials Project

doi:10.17188/1689205

Title: Materials Data on Ba2DyTaO6 by Materials Project

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Abstract

Ba2DyTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent DyO6 octahedra, and faces with four equivalent TaO6 octahedra. All Ba–O bond lengths are 3.02 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.25 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Dy3+, and one Ta5+ atom.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1206435

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; Ba2DyTaO6; Ba-Dy-O-Ta

OSTI Identifier:: 1689205

DOI:: https://doi.org/10.17188/1689205

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                    The Materials Project. Materials Data on Ba2DyTaO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689205.

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                    The Materials Project. Materials Data on Ba2DyTaO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689205

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                    The Materials Project. 2020.  
"Materials Data on Ba2DyTaO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689205.  https://www.osti.gov/servlets/purl/1689205. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1689205,

  title        = {Materials Data on Ba2DyTaO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2DyTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent DyO6 octahedra, and faces with four equivalent TaO6 octahedra. All Ba–O bond lengths are 3.02 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.25 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Dy3+, and one Ta5+ atom.},

  doi          = {10.17188/1689205},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689205

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