Materials Data on Sc3TlB by Materials Project

doi:10.17188/1186672

Title: Materials Data on Sc3TlB by Materials Project

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Abstract

Sc3TlB 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 Tl and two equivalent B atoms. All Sc–Tl bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.35 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 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 TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10140

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; Sc3TlB; B-Sc-Tl

OSTI Identifier:: 1186672

DOI:: https://doi.org/10.17188/1186672

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                    The Materials Project. Materials Data on Sc3TlB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186672.

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                    The Materials Project. Materials Data on Sc3TlB by Materials Project.  United States.  doi:https://doi.org/10.17188/1186672

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                    The Materials Project. 2020.  
"Materials Data on Sc3TlB by Materials Project".  United States.  doi:https://doi.org/10.17188/1186672.  https://www.osti.gov/servlets/purl/1186672. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186672,

  title        = {Materials Data on Sc3TlB by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3TlB 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 Tl and two equivalent B atoms. All Sc–Tl bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.35 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 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 TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1186672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1186672

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