Materials Data on LiBeSb by Materials Project

doi:10.17188/1707909

Title: Materials Data on LiBeSb by Materials Project

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Abstract

LiBeSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with six equivalent LiSb6 octahedra, corners with twelve equivalent BeSb4 tetrahedra, edges with twelve equivalent LiSb6 octahedra, and faces with four equivalent BeSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Sb bond lengths are 2.95 Å. Be2+ is bonded to four equivalent Sb3- atoms to form BeSb4 tetrahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent BeSb4 tetrahedra, and faces with four equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Be–Sb bond lengths are 2.56 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Li1+ and four equivalent Be2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1100398

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; LiBeSb; Be-Li-Sb

OSTI Identifier:: 1707909

DOI:: https://doi.org/10.17188/1707909

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                    The Materials Project. Materials Data on LiBeSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707909.

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                    The Materials Project. Materials Data on LiBeSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1707909

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                    The Materials Project. 2020.  
"Materials Data on LiBeSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1707909.  https://www.osti.gov/servlets/purl/1707909. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707909,

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

  author       = {The Materials Project},

  abstractNote = {LiBeSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with six equivalent LiSb6 octahedra, corners with twelve equivalent BeSb4 tetrahedra, edges with twelve equivalent LiSb6 octahedra, and faces with four equivalent BeSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Sb bond lengths are 2.95 Å. Be2+ is bonded to four equivalent Sb3- atoms to form BeSb4 tetrahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent BeSb4 tetrahedra, and faces with four equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Be–Sb bond lengths are 2.56 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Li1+ and four equivalent Be2+ atoms.},

  doi          = {10.17188/1707909},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707909

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