Materials Data on Ba3SiO by Materials Project

doi:10.17188/1289641

Title: Materials Data on Ba3SiO by Materials Project

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Abstract

Ba3SiO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent Si4- and two equivalent O2- atoms. All Ba–Si bond lengths are 3.84 Å. Both Ba–O bond lengths are 2.71 Å. Si4- is bonded to twelve equivalent Ba2+ atoms to form SiBa12 cuboctahedra that share corners with twelve equivalent SiBa12 cuboctahedra, faces with six equivalent SiBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O2- is bonded to six equivalent Ba2+ atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-754940

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; Ba3SiO; Ba-O-Si

OSTI Identifier:: 1289641

DOI:: https://doi.org/10.17188/1289641

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                    The Materials Project. Materials Data on Ba3SiO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289641.

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                    The Materials Project. Materials Data on Ba3SiO by Materials Project.  United States.  doi:https://doi.org/10.17188/1289641

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                    The Materials Project. 2020.  
"Materials Data on Ba3SiO by Materials Project".  United States.  doi:https://doi.org/10.17188/1289641.  https://www.osti.gov/servlets/purl/1289641. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1289641,

  title        = {Materials Data on Ba3SiO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3SiO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent Si4- and two equivalent O2- atoms. All Ba–Si bond lengths are 3.84 Å. Both Ba–O bond lengths are 2.71 Å. Si4- is bonded to twelve equivalent Ba2+ atoms to form SiBa12 cuboctahedra that share corners with twelve equivalent SiBa12 cuboctahedra, faces with six equivalent SiBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O2- is bonded to six equivalent Ba2+ atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent SiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1289641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289641

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