Materials Data on Ba3SnO by Materials Project

doi:10.17188/1203623

Title: Materials Data on Ba3SnO by Materials Project

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Abstract

Ba3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Ba–Sn bond lengths are 3.91 Å. Both Ba–O bond lengths are 2.76 Å. Sn is bonded to twelve equivalent Ba atoms to form SnBa12 cuboctahedra that share corners with twelve equivalent SnBa12 cuboctahedra, faces with six equivalent SnBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O is bonded to six equivalent Ba atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SnBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-29243

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; Ba3SnO; Ba-O-Sn

OSTI Identifier:: 1203623

DOI:: https://doi.org/10.17188/1203623

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                    The Materials Project. Materials Data on Ba3SnO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203623.

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                    The Materials Project. Materials Data on Ba3SnO by Materials Project.  United States.  doi:https://doi.org/10.17188/1203623

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                    The Materials Project. 2020.  
"Materials Data on Ba3SnO by Materials Project".  United States.  doi:https://doi.org/10.17188/1203623.  https://www.osti.gov/servlets/purl/1203623. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203623,

  title        = {Materials Data on Ba3SnO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Ba–Sn bond lengths are 3.91 Å. Both Ba–O bond lengths are 2.76 Å. Sn is bonded to twelve equivalent Ba atoms to form SnBa12 cuboctahedra that share corners with twelve equivalent SnBa12 cuboctahedra, faces with six equivalent SnBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O is bonded to six equivalent Ba atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SnBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1203623},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203623

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