Materials Data on Sc3InB by Materials Project

doi:10.17188/1194934

Title: Materials Data on Sc3InB by Materials Project

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Abstract

Sc3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent B atoms. All Sc–In bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.34 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. 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 InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-19726

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; Sc3InB; B-In-Sc

OSTI Identifier:: 1194934

DOI:: https://doi.org/10.17188/1194934

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                    The Materials Project. Materials Data on Sc3InB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194934.

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                    The Materials Project. Materials Data on Sc3InB by Materials Project.  United States.  doi:https://doi.org/10.17188/1194934

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                    The Materials Project. 2020.  
"Materials Data on Sc3InB by Materials Project".  United States.  doi:https://doi.org/10.17188/1194934.  https://www.osti.gov/servlets/purl/1194934. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1194934,

  title        = {Materials Data on Sc3InB by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent B atoms. All Sc–In bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.34 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. 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 InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1194934},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1194934

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