Materials Data on LiTaF6 by Materials Project

doi:10.17188/1711615

Title: Materials Data on LiTaF6 by Materials Project

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Abstract

LiTaF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.07 Å. Ta5+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 1.92 Å. F1- is bonded in a linear geometry to one Li1+ and one Ta5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1206962

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; LiTaF6; F-Li-Ta

OSTI Identifier:: 1711615

DOI:: https://doi.org/10.17188/1711615

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                    The Materials Project. Materials Data on LiTaF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711615.

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                    The Materials Project. Materials Data on LiTaF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711615

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                    The Materials Project. 2020.  
"Materials Data on LiTaF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711615.  https://www.osti.gov/servlets/purl/1711615. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1711615,

  title        = {Materials Data on LiTaF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiTaF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.07 Å. Ta5+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 1.92 Å. F1- is bonded in a linear geometry to one Li1+ and one Ta5+ atom.},

  doi          = {10.17188/1711615},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1711615

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