Materials Data on Sr2ScBiO6 by Materials Project

doi:10.17188/1719714

Title: Materials Data on Sr2ScBiO6 by Materials Project

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Abstract

Sr2ScBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent BiO6 octahedra. All Sr–O bond lengths are 2.95 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.08 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Sc3+, and one Bi5+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1208736

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; Sr2ScBiO6; Bi-O-Sc-Sr

OSTI Identifier:: 1719714

DOI:: https://doi.org/10.17188/1719714

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                    The Materials Project. Materials Data on Sr2ScBiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719714.

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                    The Materials Project. Materials Data on Sr2ScBiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719714

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                    The Materials Project. 2020.  
"Materials Data on Sr2ScBiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719714.  https://www.osti.gov/servlets/purl/1719714. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1719714,

  title        = {Materials Data on Sr2ScBiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2ScBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent BiO6 octahedra. All Sr–O bond lengths are 2.95 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.08 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Sc3+, and one Bi5+ atom.},

  doi          = {10.17188/1719714},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1719714

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