Materials Data on LiCaSb by Materials Project

doi:10.17188/1681233

Title: Materials Data on LiCaSb by Materials Project

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Abstract

CaLiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with twelve equivalent CaSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, and faces with four equivalent CaSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Sb bond lengths are 2.90 Å. Ca2+ is bonded to six equivalent Sb3- atoms to form CaSb6 octahedra that share corners with six equivalent CaSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with twelve equivalent CaSb6 octahedra, and faces with four equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Sb bond lengths are 3.35 Å. Sb3- is bonded in a 4-coordinate geometry to four equivalent Li1+ and six equivalent Ca2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1100409

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; LiCaSb; Ca-Li-Sb

OSTI Identifier:: 1681233

DOI:: https://doi.org/10.17188/1681233

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                    The Materials Project. Materials Data on LiCaSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681233.

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                    The Materials Project. Materials Data on LiCaSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1681233

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                    The Materials Project. 2020.  
"Materials Data on LiCaSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1681233.  https://www.osti.gov/servlets/purl/1681233. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681233,

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

  author       = {The Materials Project},

  abstractNote = {CaLiSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with twelve equivalent CaSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, and faces with four equivalent CaSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–Sb bond lengths are 2.90 Å. Ca2+ is bonded to six equivalent Sb3- atoms to form CaSb6 octahedra that share corners with six equivalent CaSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with twelve equivalent CaSb6 octahedra, and faces with four equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Sb bond lengths are 3.35 Å. Sb3- is bonded in a 4-coordinate geometry to four equivalent Li1+ and six equivalent Ca2+ atoms.},

  doi          = {10.17188/1681233},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1681233

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