Materials Data on YbTaO3 by Materials Project

doi:10.17188/1698942

Title: Materials Data on YbTaO3 by Materials Project

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Abstract

YbTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Yb–O bond lengths are 2.83 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb3+ and two equivalent Ta3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187479

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; YbTaO3; O-Ta-Yb

OSTI Identifier:: 1698942

DOI:: https://doi.org/10.17188/1698942

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                    The Materials Project. Materials Data on YbTaO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698942.

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                    The Materials Project. Materials Data on YbTaO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698942

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                    The Materials Project. 2020.  
"Materials Data on YbTaO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698942.  https://www.osti.gov/servlets/purl/1698942. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1698942,

  title        = {Materials Data on YbTaO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Yb–O bond lengths are 2.83 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb3+ and two equivalent Ta3+ atoms.},

  doi          = {10.17188/1698942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698942

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