Materials Data on Li2BiF5 by Materials Project

doi:10.17188/1291635

Title: Materials Data on Li2BiF5 by Materials Project

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Abstract

Li2BiF5 crystallizes in the tetragonal I4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent BiF6 octahedra and edges with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–46°. All Li–F bond lengths are 1.86 Å. Bi3+ is bonded to six F1- atoms to form BiF6 octahedra that share corners with two equivalent BiF6 octahedra and corners with eight equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Bi–F bond distances ranging from 2.27–2.39 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Bi3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-760419

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; Li2BiF5; Bi-F-Li

OSTI Identifier:: 1291635

DOI:: https://doi.org/10.17188/1291635

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                    The Materials Project. Materials Data on Li2BiF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291635.

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                    The Materials Project. Materials Data on Li2BiF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291635

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                    The Materials Project. 2020.  
"Materials Data on Li2BiF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291635.  https://www.osti.gov/servlets/purl/1291635. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1291635,

  title        = {Materials Data on Li2BiF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2BiF5 crystallizes in the tetragonal I4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent BiF6 octahedra and edges with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–46°. All Li–F bond lengths are 1.86 Å. Bi3+ is bonded to six F1- atoms to form BiF6 octahedra that share corners with two equivalent BiF6 octahedra and corners with eight equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Bi–F bond distances ranging from 2.27–2.39 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Bi3+ atom.},

  doi          = {10.17188/1291635},

  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/10.17188/1291635

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