Materials Data on Sc3SnB by Materials Project

doi:10.17188/1186670

Title: Materials Data on Sc3SnB by Materials Project

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Abstract

SnBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Sn atoms. Both Sc–B bond lengths are 2.33 Å. All Sc–Sn bond lengths are 3.29 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent SnSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Sn is bonded to twelve equivalent Sc atoms to form SnSc12 cuboctahedra that share corners with twelve equivalent SnSc12 cuboctahedra, faces with six equivalent SnSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10139

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; Sc3SnB; B-Sc-Sn

OSTI Identifier:: 1186670

DOI:: https://doi.org/10.17188/1186670

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                    The Materials Project. Materials Data on Sc3SnB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186670.

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                    The Materials Project. Materials Data on Sc3SnB by Materials Project.  United States.  doi:https://doi.org/10.17188/1186670

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                    The Materials Project. 2020.  
"Materials Data on Sc3SnB by Materials Project".  United States.  doi:https://doi.org/10.17188/1186670.  https://www.osti.gov/servlets/purl/1186670. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186670,

  title        = {Materials Data on Sc3SnB by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Sn atoms. Both Sc–B bond lengths are 2.33 Å. All Sc–Sn bond lengths are 3.29 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent SnSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Sn is bonded to twelve equivalent Sc atoms to form SnSc12 cuboctahedra that share corners with twelve equivalent SnSc12 cuboctahedra, faces with six equivalent SnSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.},

  doi          = {10.17188/1186670},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1186670

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