Materials Data on NaLiTe by Materials Project

doi:10.17188/1313467

Title: Materials Data on NaLiTe by Materials Project

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Abstract

NaLiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Te2- atoms to form NaTe4 tetrahedra that share corners with twelve equivalent LiTe6 octahedra, corners with twelve equivalent NaTe4 tetrahedra, and faces with four equivalent LiTe6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Na–Te bond lengths are 3.00 Å. Li1+ is bonded to six equivalent Te2- atoms to form LiTe6 octahedra that share corners with six equivalent LiTe6 octahedra, corners with twelve equivalent NaTe4 tetrahedra, edges with twelve equivalent LiTe6 octahedra, and faces with four equivalent NaTe4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Te bond lengths are 3.47 Å. Te2- is bonded to four equivalent Na1+ and six equivalent Li1+ atoms to form a mixture of distorted face and corner-sharing TeNa4Li6 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-962066

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; NaLiTe; Li-Na-Te

OSTI Identifier:: 1313467

DOI:: https://doi.org/10.17188/1313467

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                    The Materials Project. Materials Data on NaLiTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313467.

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                    The Materials Project. Materials Data on NaLiTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1313467

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                    The Materials Project. 2020.  
"Materials Data on NaLiTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1313467.  https://www.osti.gov/servlets/purl/1313467. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1313467,

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

  author       = {The Materials Project},

  abstractNote = {NaLiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Te2- atoms to form NaTe4 tetrahedra that share corners with twelve equivalent LiTe6 octahedra, corners with twelve equivalent NaTe4 tetrahedra, and faces with four equivalent LiTe6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Na–Te bond lengths are 3.00 Å. Li1+ is bonded to six equivalent Te2- atoms to form LiTe6 octahedra that share corners with six equivalent LiTe6 octahedra, corners with twelve equivalent NaTe4 tetrahedra, edges with twelve equivalent LiTe6 octahedra, and faces with four equivalent NaTe4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Te bond lengths are 3.47 Å. Te2- is bonded to four equivalent Na1+ and six equivalent Li1+ atoms to form a mixture of distorted face and corner-sharing TeNa4Li6 tetrahedra.},

  doi          = {10.17188/1313467},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313467

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