Materials Data on LiBiF5 by Materials Project

doi:10.17188/1288610

Title: Materials Data on LiBiF5 by Materials Project

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Abstract

LiBiF5 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li is bonded to four equivalent F atoms to form LiF4 tetrahedra that share corners with four equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Li–F bond lengths are 1.91 Å. Bi is bonded to six F atoms to form BiF6 octahedra that share corners with two equivalent BiF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.14 Å) and two longer (2.22 Å) Bi–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a linear geometry to two equivalent Bi atoms. In the second F site, F is bonded in a bent 120 degrees geometry to one Li and one Bi atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-752483

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; LiBiF5; Bi-F-Li

OSTI Identifier:: 1288610

DOI:: https://doi.org/10.17188/1288610

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                    The Materials Project. Materials Data on LiBiF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288610.

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                    The Materials Project. Materials Data on LiBiF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288610

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                    The Materials Project. 2020.  
"Materials Data on LiBiF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288610.  https://www.osti.gov/servlets/purl/1288610. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1288610,

  title        = {Materials Data on LiBiF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBiF5 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li is bonded to four equivalent F atoms to form LiF4 tetrahedra that share corners with four equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Li–F bond lengths are 1.91 Å. Bi is bonded to six F atoms to form BiF6 octahedra that share corners with two equivalent BiF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.14 Å) and two longer (2.22 Å) Bi–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a linear geometry to two equivalent Bi atoms. In the second F site, F is bonded in a bent 120 degrees geometry to one Li and one Bi atom.},

  doi          = {10.17188/1288610},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1288610

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