Materials Data on Ba2TbBiO6 by Materials Project

doi:10.17188/1267563

Title: Materials Data on Ba2TbBiO6 by Materials Project

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Abstract

Ba2TbBiO6 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 twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.41 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. There are four shorter (2.25 Å) and two longer (2.26 Å) Tb–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-552191

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; Ba2TbBiO6; Ba-Bi-O-Tb

OSTI Identifier:: 1267563

DOI:: https://doi.org/10.17188/1267563

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                    The Materials Project. Materials Data on Ba2TbBiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267563.

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                    The Materials Project. Materials Data on Ba2TbBiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267563

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                    The Materials Project. 2020.  
"Materials Data on Ba2TbBiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267563.  https://www.osti.gov/servlets/purl/1267563. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1267563,

  title        = {Materials Data on Ba2TbBiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2TbBiO6 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 twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.41 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. There are four shorter (2.25 Å) and two longer (2.26 Å) Tb–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom.},

  doi          = {10.17188/1267563},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267563

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