Materials Data on BaSrBiSbO6 by Materials Project

doi:10.17188/1724982

Title: Materials Data on BaSrBiSbO6 by Materials Project

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Abstract

BaSrBiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.10 Å. Sr2+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.57 Å) and three longer (2.83 Å) Sr–O bond lengths. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are three shorter (2.32 Å) and three longer (2.38 Å) Bi–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are three shorter (2.03 Å) and three longer (2.04 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Sr2+, one Bi3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Sr2+, one Bi3+, and one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227677

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; BaSrBiSbO6; Ba-Bi-O-Sb-Sr

OSTI Identifier:: 1724982

DOI:: https://doi.org/10.17188/1724982

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                    The Materials Project. Materials Data on BaSrBiSbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724982.

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                    The Materials Project. Materials Data on BaSrBiSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724982

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                    The Materials Project. 2020.  
"Materials Data on BaSrBiSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724982.  https://www.osti.gov/servlets/purl/1724982. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1724982,

  title        = {Materials Data on BaSrBiSbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSrBiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.10 Å. Sr2+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.57 Å) and three longer (2.83 Å) Sr–O bond lengths. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are three shorter (2.32 Å) and three longer (2.38 Å) Bi–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–27°. There are three shorter (2.03 Å) and three longer (2.04 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Sr2+, one Bi3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Sr2+, one Bi3+, and one Sb5+ atom.},

  doi          = {10.17188/1724982},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1724982

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