Materials Data on BaLiPrTeO6 by Materials Project

doi:10.17188/1207868

Title: Materials Data on BaLiPrTeO6 by Materials Project

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Abstract

LiBaPrTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.09 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.85 Å. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pr–O bond lengths are 2.85 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengthsmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-41219

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; BaLiPrTeO6; Ba-Li-O-Pr-Te

OSTI Identifier:: 1207868

DOI:: https://doi.org/10.17188/1207868

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                    The Materials Project. Materials Data on BaLiPrTeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207868.

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                    The Materials Project. Materials Data on BaLiPrTeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207868

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                    The Materials Project. 2020.  
"Materials Data on BaLiPrTeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207868.  https://www.osti.gov/servlets/purl/1207868. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1207868,

  title        = {Materials Data on BaLiPrTeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBaPrTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.09 Å. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.85 Å. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pr–O bond lengths are 2.85 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to one Li1+, two equivalent Ba2+, two equivalent Pr3+, and one Te6+ atom.},

  doi          = {10.17188/1207868},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1207868

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