Materials Data on BaSnO3 by Materials Project

doi:10.17188/1205802

Title: Materials Data on BaSnO3 by Materials Project

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Abstract

BaSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Ba–O bond lengths are 2.96 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.09 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Sn4+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-3163

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; BaSnO3; Ba-O-Sn

OSTI Identifier:: 1205802

DOI:: https://doi.org/10.17188/1205802

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                    The Materials Project. Materials Data on BaSnO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1205802.

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                    The Materials Project. Materials Data on BaSnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205802

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                    The Materials Project. 2017.  
"Materials Data on BaSnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205802.  https://www.osti.gov/servlets/purl/1205802. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1205802,

  title        = {Materials Data on BaSnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Ba–O bond lengths are 2.96 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.09 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Sn4+ atoms.},

  doi          = {10.17188/1205802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1205802

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