Materials Data on Ba2SrWO6 by Materials Project

doi:10.17188/1193862

Title: Materials Data on Ba2SrWO6 by Materials Project

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Abstract

Ba2SrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.17 Å. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Sr–O bond lengths are 2.46 Å. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All W–O bond lengths are 1.97 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Sr2+, and one W6+ atom.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-19078

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; Ba2SrWO6; Ba-O-Sr-W

OSTI Identifier:: 1193862

DOI:: https://doi.org/10.17188/1193862

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                    The Materials Project. Materials Data on Ba2SrWO6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1193862.

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                    The Materials Project. Materials Data on Ba2SrWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193862

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                    The Materials Project. 2017.  
"Materials Data on Ba2SrWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193862.  https://www.osti.gov/servlets/purl/1193862. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1193862,

  title        = {Materials Data on Ba2SrWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2SrWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.17 Å. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Sr–O bond lengths are 2.46 Å. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All W–O bond lengths are 1.97 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Sr2+, and one W6+ atom.},

  doi          = {10.17188/1193862},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1193862

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